Geometry & MOs

Info

ID:

327558

PubChem CID:

126690334

Reduced:

SN3C24H29 (1)

Stoich.:

AB3C24D29 (1)

Weight, g/mol:

648.19571

ΔHf, kcal/mol:

106.82

Dipole, Da:

6.98

IP(EA), eV:

-7.7(-0.66)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(Z)-N-[(3Z,5Z)-6-bromo-2,4-dichloro-5,7-dimethoxyhepta-3,5-dien-3-yl]-5-[4-(4-ethylpiperazin-1-yl)butylamino]-2-methylidene-3-(methylideneamino)-5-methyliminopent-3-enamide

Drug info:

PubChemData

Smile

CCC/C=C/N=C(C1=C(C(=CS1)/C=C/C(=C/2\C=CC=C\C2=C(\C)/N)/C=C)C)N

DOS

IR

Vibrations