Geometry & MOs

Info

ID:	240106
PubChem CID:	93576163
Reduced:	NOC6H6 (4)
Stoich.:	ABC6D6 (4)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-63.17
Dipole, Da:	5.14
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2[C@H](C)NC(=O)C4=CC=CO4

DOS

IR

Vibrations