Geometry & MOs

Info

ID:	297624
PubChem CID:	117624092
Reduced:	NO9C13H19 (1)
Stoich.:	AB9C13D19 (1)
Weight, g/mol:	990.477243
ΔH_f, kcal/mol:	-401.64
Dipole, Da:	4.25
IP(EA), eV:	-10.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1R,18R,20R,24S,27S)-24-cyclohexyl-27-[[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamoyl]-6-methoxy-22,25-dioxo-2,21-dioxa-4,23,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-11-yl]oxymethyl]azetidine-1-carboxylate

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)CCC(C(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O)NC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)CCC(C(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O)NC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):