Geometry & MOs

Info

ID:	240035
PubChem CID:	93575866
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-52.72
Dipole, Da:	4.44
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations