Geometry & MOs

Info

ID:	196083
PubChem CID:	78776617
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-76.5
Dipole, Da:	3.19
IP(EA), eV:	-8.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-N-(3-methylsulfanylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)SC)NC(=O)C

DOS

IR

Vibrations