Geometry & MOs

Info

ID:	195240
PubChem CID:	78662954
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	341.081871
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	6.57
IP(EA), eV:	-9.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorobenzoyl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC(=O)C(=CC3=CC(=CC=C3)O)S2

DOS

IR

Vibrations