Geometry & MOs

Info

ID:	32520
PubChem CID:	7840833
Reduced:	ClNSO3H16C19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	368.1139
ΔH_f, kcal/mol:	-66.88
Dipole, Da:	5.39
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-cyclohexylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)CCSC3=CC=C(C=C3)Cl

DOS

IR

Vibrations