Geometry & MOs

Info

ID:	138495
PubChem CID:	52374508
Reduced:	SN3O4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	374.022498
ΔH_f, kcal/mol:	-107.33
Dipole, Da:	8.24
IP(EA), eV:	-9.18(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC(=CC=C2)NC(=O)NC3CC3

DOS

IR

Vibrations