Geometry & MOs

Info

ID:	240176
PubChem CID:	93576482
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	3.08
IP(EA), eV:	-8.9(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2CCCNC(=O)[C@@H]4CCCO4)C

DOS

IR

Vibrations