Geometry & MOs

Info

ID:	240100
PubChem CID:	93576133
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-58.77
Dipole, Da:	5.76
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-[2-(3-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=C3OC)NC(=O)C4=CC=CO4

DOS

IR

Vibrations