Geometry & MOs

Info

ID:	134913
PubChem CID:	51782873
Reduced:	SN3O7C25H25 (1)
Stoich.:	AB3C7D25E25 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-134.92
Dipole, Da:	8.13
IP(EA), eV:	-9.27(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@H](C2=CC(=CC=C2)OC)N(C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations