Geometry & MOs

Info

ID:	234481
PubChem CID:	92298527
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	332.077262
ΔH_f, kcal/mol:	-129.1
Dipole, Da:	9.12
IP(EA), eV:	-9.52(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-(3-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N(C)CC(=O)N[C@H](C)C2=CC=CC=C2)OC

DOS

IR

Vibrations