Geometry & MOs

Info

ID:	240102
PubChem CID:	93576137
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	434.141262
ΔH_f, kcal/mol:	-27.39
Dipole, Da:	3.14
IP(EA), eV:	-8.95(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[1-[2-(3-methylsulfanylanilino)-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