Geometry & MOs

Info

ID:	302740
PubChem CID:	124394115
Reduced:	SO3N5C26H31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	494.080013
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	3.98
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]-2-(3-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)[C@@H](C(C)C)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations