Geometry & MOs

Info

ID:	240135
PubChem CID:	93576307
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-115.75
Dipole, Da:	4.56
IP(EA), eV:	-8.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2CCNC(=O)[C@H]4CCCO4

DOS

IR

Vibrations