Geometry & MOs

Info

ID:	406887
PubChem CID:	135078851
Reduced:	BKSO3C9H12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	627.174851
ΔH_f, kcal/mol:	-227.12
Dipole, Da:	9.45
IP(EA), eV:	-8.21(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-chlorophenyl)-tributylstannylmethyl]phenyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

[B-]12(OCC(CO1)(CO2)C)C3=CC=CS3.[K+]

DOS

IR

Vibrations