Geometry & MOs

Info

ID:	419379
PubChem CID:	135108061
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	689.353697
ΔH_f, kcal/mol:	-171.15
Dipole, Da:	4.15
IP(EA), eV:	-9.02(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoyl]-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-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

C1CCCN(CC1)CC(=O)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

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

C1CCCN(CC1)CC(=O)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):