Geometry & MOs

Info

ID:	135316
PubChem CID:	51850807
Reduced:	Cl2N2O2C25H30 (1)
Stoich.:	A2B2C2D25E30 (1)
Weight, g/mol:	486.184084
ΔH_f, kcal/mol:	-82.34
Dipole, Da:	4.73
IP(EA), eV:	-9.43(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-N-cyclohexyl-2-(N-[2-(2,3-dichlorophenyl)acetyl]anilino)hept-3-enamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C(=O)NC(C)(C)C)N(C1=CC=CC=C1)C(=O)CC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations