Geometry & MOs

Info

ID:	416008
PubChem CID:	135089013
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	667.405732
ΔH_f, kcal/mol:	-19.23
Dipole, Da:	5.77
IP(EA), eV:	-9.43(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-13-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

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

C1[C@H]([C@H](CO1)NC(=O)C2=CSC(=N2)N)CC3=CC=NC=C3

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

C1[C@H]([C@H](CO1)NC(=O)C2=CSC(=N2)N)CC3=CC=NC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):