Geometry & MOs

Info

ID:	227932
PubChem CID:	87563076
Reduced:	NSiO4C9H18 (1)
Stoich.:	ABC4D9E18 (1)
Weight, g/mol:	338.999989
ΔH_f, kcal/mol:	-241.12
Dipole, Da:	3.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752487
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)carbamothioyl]-3,5-dichlorobenzamide

Drug info:

PubChemData

Smile

CCC[C@@H](N=C=O)O[Si](OCC)OCC

DOS

IR

Vibrations