Geometry & MOs

Info

ID:	240101
PubChem CID:	93576136
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-30.69
Dipole, Da:	1.97
IP(EA), eV:	-8.97(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[1-[2-(3-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2[C@@H](C)NC(=O)C4=CC=CO4

DOS

IR

Vibrations