Geometry & MOs

Info

ID:	379021
PubChem CID:	134228903
Reduced:	NC16H23 (1)
Stoich.:	AB16C23 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	0.95
Dipole, Da:	2.34
IP(EA), eV:	-8.93(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-oxo-2-[(E)-1-(1-pyridin-3-ylethylideneamino)prop-1-en-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C(=NC(C2(C)C)(C)C)C)C

DOS

IR

Vibrations