Geometry & MOs

Info

ID:	134149
PubChem CID:	51652840
Reduced:	OSN2C12H13 (2)
Stoich.:	ABC2D12E13 (2)
Weight, g/mol:	320.010307
ΔH_f, kcal/mol:	5.27
Dipole, Da:	5.25
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

3-(2-nitrophenyl)sulfonylazanidylbenzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(S3)NC4CCCCC4

DOS

IR

Vibrations