Geometry & MOs

Info

ID:	188617
PubChem CID:	77742283
Reduced:	ClSO6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-189.64
Dipole, Da:	2.53
IP(EA), eV:	-9.0(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1-cyano-2-morpholin-4-yl-2-phenylethyl)cyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCC1C(=C(C(=O)O1)OC2=CC(=C(C=C2)OC)Cl)C3=CC(=C(C=C3)S(=O)(=O)C)C

DOS

IR

Vibrations