Geometry & MOs

Info

ID:

435164

PubChem CID:

135182909

Reduced:

S2N4O10C81H152 (1)

Stoich.:

A2B4C10D81E152 (1)

Weight, g/mol:

484.063986

ΔHf, kcal/mol:

-696.85

Dipole, Da:

3.55

IP(EA), eV:

 -8.65(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(Z)-3-(aminomethylideneamino)-4-(2-chloroanilino)-4-sulfanylidenebut-2-enyl]-2-chlorophenyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCCC)OC(=O)CCCN(CCCC(=O)OC/C=C\CCCCCCCCCCCCCCC(CCCCCCCC)OC(=O)CCCN(CCCC(=O)OC/C=C\CCCCCC)C(=O)SCCCN(CC)CC)C(=O)SCCN(C)C

DOS

IR

Vibrations