Geometry & MOs

Info

ID:	175182
PubChem CID:	75864384
Reduced:	SN2O5C24H25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	458.195405
ΔH_f, kcal/mol:	-121.62
Dipole, Da:	2.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.846243
Charge, e:	0

Chem-info

IUPAC name:

3-[benzyl-[2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=C(C(=N)C)C(=O)C)[O-])C3=CC=CS3

DOS

IR

Vibrations