Geometry & MOs

Info

ID:	240076
PubChem CID:	93576047
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-81.7
Dipole, Da:	1.84
IP(EA), eV:	-8.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations