Geometry & MOs

Info

ID:	336164
PubChem CID:	127255171
Reduced:	SN4O5H24C26 (1)
Stoich.:	AB4C5D24E26 (1)
Weight, g/mol:	403.210721
ΔH_f, kcal/mol:	-101.26
Dipole, Da:	7.83
IP(EA), eV:	-8.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=C(O3)C4=NC5=CC=CC=C5S4)O

DOS

IR

Vibrations