Geometry & MOs

Info

ID:	135314
PubChem CID:	51850805
Reduced:	ClNOC14H15 (2)
Stoich.:	ABCD14E15 (2)
Weight, g/mol:	460.168434
ΔH_f, kcal/mol:	-47.83
Dipole, Da:	4.36
IP(EA), eV:	-9.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]([C@H](C)C1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)CC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations