Geometry & MOs

Info

ID:	405207
PubChem CID:	135073038
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	402.103814
ΔH_f, kcal/mol:	2.99
Dipole, Da:	1.27
IP(EA), eV:	-8.33(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-isocyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCC#CC(C)C(C1=CC2=CC=CC=C2N1CC)O

DOS

IR

Vibrations