Geometry & MOs

Info

ID:

321896

PubChem CID:

126667237

Reduced:

SO2N8C25H30 (1)

Stoich.:

AB2C8D25E30 (1)

Weight, g/mol:

495.205259

ΔHf, kcal/mol:

85.79

Dipole, Da:

6.57

IP(EA), eV:

 -7.78(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)ethyl]-1-N-[4-(2,4-dimethylthieno[3,2-b]pyrrol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine

Drug info:

PubChemData

Smile

CN1C2=C(C(=N1)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC)SC=C2

DOS

IR

Vibrations