Geometry & MOs

Info

ID:	398611
PubChem CID:	135034260
Reduced:	ClNSO3C16H16 (1)
Stoich.:	ABCD3E16F16 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	-79.17
Dipole, Da:	4.62
IP(EA), eV:	-9.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(ethenyl-oxo-phenyl-lambda6-sulfanylidene)carbamate

Drug info:

PubChemData

Smile

CCS(=NC(=O)OCC1=CC=CC=C1)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations