Geometry & MOs

Info

ID:	135315
PubChem CID:	51850806
Reduced:	Cl2N2O2C25H30 (1)
Stoich.:	A2B2C2D25E30 (1)
Weight, g/mol:	460.168434
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	2.22
IP(EA), eV:	-9.35(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-N-tert-butyl-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