Geometry & MOs

Info

ID:	130978
PubChem CID:	51137945
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	432.086781
ΔH_f, kcal/mol:	-79.57
Dipole, Da:	5.8
IP(EA), eV:	-8.48(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-[3-[[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C2=C3C(=CNC3=CC=C2)C[C@H](N1)C(=O)NCCNC(=O)C

DOS

IR

Vibrations