Geometry & MOs

Info

ID:	133628
PubChem CID:	51564943
Reduced:	SN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-32.5
Dipole, Da:	4.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767165
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide

Drug info:

PubChemData

Smile

C[C@H](CCC1=CC=CC=C1)NC(=O)C2=C(N3C=CSC3=NC2=O)[O-]

DOS

IR

Vibrations