Geometry & MOs

Info

ID:	217998
PubChem CID:	85088715
Reduced:	BNS2O3C21H30 (1)
Stoich.:	ABC2D3E21F30 (1)
Weight, g/mol:	419.093977
ΔH_f, kcal/mol:	-147.79
Dipole, Da:	6.1
IP(EA), eV:	-8.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-diazo-2-phenylacetyl)-N-(4-methylphenyl)sulfonylbenzamide

Drug info:

PubChemData

Smile

B(CC)(CC)OC(CC=C1SCCCS1)N2C(C(OC2=O)C3=CC=CC=C3)C

DOS

IR

Vibrations