Geometry & MOs

Info

ID:

190526

PubChem CID:

78016196

Reduced:

OCl2N8C40H40 (1)

Stoich.:

AB2C8D40E40 (1)

Weight, g/mol:

356.094312

ΔHf, kcal/mol:

101.49

Dipole, Da:

8.7

IP(EA), eV:

 -8.45(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3-ethyl-1,3-dimethyl-4,6-dioxo-3a,6a-dihydro-1H-furo[3,4-c]pyrrol-5-yl)-2,1,3-benzothiadiazole-7-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)N2C=NC(=C2C3=C(NC4=C3C=CC(=C4)Cl)C(=O)NC5C(CNN5)C6=CC(=CC=C6)N7CCN(CC7)C)C8=CC=CC=C8

DOS

IR

Vibrations