Geometry & MOs

Info

ID:	240077
PubChem CID:	93576048
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-90.5
Dipole, Da:	3.3
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)CN2C3=CC=CC=C3N=C2[C@@H](C)NC(=O)[C@@H]4CCCO4)C

DOS

IR

Vibrations