Geometry & MOs

Info

ID:

232557

PubChem CID:

87576415

Reduced:

S2O7N11C55H55 (1)

Stoich.:

A2B7C11D55E55 (1)

Weight, g/mol:

122.031909

ΔHf, kcal/mol:

-68.53

Dipole, Da:

4.1

IP(EA), eV:

 -8.06(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butylphosphinothious acid

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)NC)N=C1NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4.CCCN1C2=C(C=C(C=C2)N(C)C(=O)NC3=CC=CC=C3)N=C1NC(=O)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations