Geometry & MOs

Info

ID:	79963
PubChem CID:	49831866
Reduced:	BrNOH6C10 (1)
Stoich.:	ABCD6E10 (1)
Weight, g/mol:	420.970912
ΔH_f, kcal/mol:	41.18
Dipole, Da:	3.77
IP(EA), eV:	-9.7(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl N-(4-methylphenyl)sulfonyl-N-phenylcarbamate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CBr)C=C(O2)C#N

DOS

IR

Vibrations