Geometry & MOs

Info

ID:

229699

PubChem CID:

87568519

Reduced:

O3S3N9C28H45 (1)

Stoich.:

A3B3C9D28E45 (1)

Weight, g/mol:

631.913023

ΔHf, kcal/mol:

-100.6

Dipole, Da:

3.52

IP(EA), eV:

 -8.72(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (E)-2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4,5-dichlorobenzoyl]amino]-3-(3,4-dichlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=S)OC(=NC45CC6CC(C4)CC(C6)C5)N.C(CNC(=S)OC(=N)N)NC(=S)OC(=N)N

DOS

IR

Vibrations