Geometry & MOs

Info

ID:	133636
PubChem CID:	51567256
Reduced:	S2N3O3C8H10 (1)
Stoich.:	A2B3C3D8E10 (1)
Weight, g/mol:	469.236542
ΔH_f, kcal/mol:	-46.69
Dipole, Da:	7.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.823352
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-benzyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=COC(=C1)[C@@H](NNC(=S)N)SCC(=O)[O-]

DOS

IR

Vibrations