Geometry & MOs

Info

ID:

164697

PubChem CID:

74440680

Reduced:

NaS2N4O12C48H61 (1)

Stoich.:

AB2C4D12E48F61 (1)

Weight, g/mol:

401.0391

ΔHf, kcal/mol:

-459.84

Dipole, Da:

34.05

IP(EA), eV:

 -8.43(-2.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[amino-[4-[5-[5-[amino(nitroso)methylidene]pyridin-2-ylidene]selenophen-2-ylidene]cyclohexa-2,5-dien-1-ylidene]methyl]hydroxylamine

Drug info:

PubChemData

Smile

CCOC(=O)N1CC[N+](=C2C(=CC=C3C(C4=C(N3CCCCCC(=O)O)C=CC(=C4)S(=O)(=O)[O-])(C)C)CCC2=CC=C5C(C6=C(N5CCCCCC(=O)O)C=CC(=C6)S(=O)(=O)[O-])(C)C)CC1.[Na+]

DOS

IR

Vibrations