Geometry & MOs

Info

ID:	134760
PubChem CID:	51752445
Reduced:	ClN2O3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	495.156099
ΔH_f, kcal/mol:	-81.17
Dipole, Da:	3.2
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C(=O)NC(C)(C)C)N(CC2=CC=CO2)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations