Geometry & MOs

Info

ID:

193445

PubChem CID:

78396013

Reduced:

FN3O4H22C27 (1)

Stoich.:

AB3C4D22E27 (1)

Weight, g/mol:

464.151826

ΔHf, kcal/mol:

-77.72

Dipole, Da:

7.03

IP(EA), eV:

 -8.8(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2CC(NN2)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)F)C(=O)C=C1C

DOS

IR

Vibrations