Geometry & MOs

Info

ID:	391241
PubChem CID:	135003806
Reduced:	ClN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	430.246772
ΔH_f, kcal/mol:	-156.6
Dipole, Da:	7.27
IP(EA), eV:	-9.23(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3Z)-2-(cyclohexylcarbamoyl)-3-[diethylamino(phenyl)methylidene]butanedioate

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@@H](C2=C(O1)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations