Geometry & MOs

Info

ID:

180068

PubChem CID:

76571380

Reduced:

NO3C8H13 (1)

Stoich.:

AB3C8D13 (1)

Weight, g/mol:

961.243158

ΔHf, kcal/mol:

-133.85

Dipole, Da:

3.35

IP(EA), eV:

-9.57(0.88)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3-nitroanilino) N-[[6-oxo-5-[[4-[4-[2-[2-oxo-6-[[3-(trifluoromethyl)phenyl]carbamoylcarbamoyl]naphthalen-1-ylidene]hydrazinyl]benzoyl]phenyl]hydrazinylidene]naphthalen-2-yl]methoxy]methanimidate

Drug info:

PubChemData

Smile

CCC(=O)N1CC2C(C1)OCO2

DOS

IR

Vibrations