Geometry & MOs

Info

ID:	171635
PubChem CID:	75408903
Reduced:	BrSN2O7C27H27 (1)
Stoich.:	ABC2D7E27F27 (1)
Weight, g/mol:	571.94577
ΔH_f, kcal/mol:	-189.04
Dipole, Da:	4.92
IP(EA), eV:	-8.29(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(3,4-dimethylphenyl)-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)/C(=C\C4=CC(=C(C=C4OC)OC)Br)/S2)C

DOS

IR

Vibrations