Geometry & MOs

Info

ID:

231034

PubChem CID:

87572490

Reduced:

S2N3O3H15C19 (1)

Stoich.:

A2B3C3D15E19 (1)

Weight, g/mol:

669.111981

ΔHf, kcal/mol:

-12.0

Dipole, Da:

7.83

IP(EA), eV:

 -8.81(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3-chlorophenyl)ethenyl]amino]-2-oxoethyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C2=CC3=C(NC=C3C4=CC=C(S4)C=O)N=C2

DOS

IR

Vibrations