Geometry & MOs

Info

ID:	302892
PubChem CID:	124398363
Reduced:	FSO2N3H22C23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	479.088413
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	8.52
IP(EA), eV:	-8.48(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-chloro-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)/C(=C/C3=CC(=C(C=C3C)N4CCCC4)F)/C(=O)NC2=S

DOS

IR

Vibrations