Geometry & MOs

Info

ID:

321893

PubChem CID:

126667234

Reduced:

SO3N8C22H26 (1)

Stoich.:

AB3C8D22E26 (1)

Weight, g/mol:

484.200508

ΔHf, kcal/mol:

96.87

Dipole, Da:

4.29

IP(EA), eV:

 -8.28(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[4-[(E)-amino-(3-methyliminothiophen-2-ylidene)methyl]pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine

Drug info:

PubChemData

Smile

CN1C2=C(C(=N1)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC)N(C)CCN(C)C)[N+](=O)[O-])SC=C2

DOS

IR

Vibrations