Geometry & MOs

Info

ID:	133532
PubChem CID:	51542596
Reduced:	NSO4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	301.086956
ΔH_f, kcal/mol:	-148.46
Dipole, Da:	7.05
IP(EA), eV:	-8.4(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-chloroanilino)-1-(4-methoxyphenyl)but-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCC(=O)N[C@H](C)C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations