Geometry & MOs

Info

ID:	437312
PubChem CID:	135223204
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-90.78
Dipole, Da:	4.38
IP(EA), eV:	-8.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethylidene)pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=NC3=C(CCCN3)C=C2

DOS

IR

Vibrations