Geometry & MOs

Info

ID:	240103
PubChem CID:	93576146
Reduced:	SO3N4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-19.83
Dipole, Da:	4.67
IP(EA), eV:	-8.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)SC)NC(=O)C4=CC=CO4

DOS

IR

Vibrations