Geometry & MOs

Info

ID:	120969
PubChem CID:	50751956
Reduced:	ClO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	456.192818
ΔH_f, kcal/mol:	-93.06
Dipole, Da:	4.05
IP(EA), eV:	-8.28(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-1-methylbenzimidazol-2-yl]ethyl]-2-ethylbutanamide

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NCCC1=NC2=C(N1C)C=CC(=C2)NC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations