Geometry & MOs

Info

ID:

328888

PubChem CID:

126728774

Reduced:

O3N6C34H38 (1)

Stoich.:

A3B6C34D38 (1)

Weight, g/mol:

492.204052

ΔHf, kcal/mol:

1.94

Dipole, Da:

3.14

IP(EA), eV:

 -8.29(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-[3-[(4Z)-4-(1-aminoethylidene)-3-(4-chlorophenyl)-5-ethenylimino-2-oxoimidazolidin-1-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=NC)/C(=C(\C)/N)/N(C2=O)C3=C(C=C(C=C3)OC4=CC=CC=C4)C)NC(=O)/C=C/CN(C)C5CC5

DOS

IR

Vibrations