Geometry & MOs

Info

ID:	338656
PubChem CID:	127259667
Reduced:	NSO2H15C20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	26.74
Dipole, Da:	5.16
IP(EA), eV:	-9.26(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-[(Z)-pent-2-en-3-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations