Geometry & MOs

Info

ID:	134947
PubChem CID:	51787993
Reduced:	ClN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	364.191756
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	1.96
IP(EA), eV:	-9.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2S)-2-(2-chloro-N-formylanilino)-N-(2,4,4-trimethylpentan-2-yl)pent-3-enamide

Drug info:

PubChemData

Smile

C/C=C/[C@H](C(=O)NC1CCCCC1)N(C=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations