Geometry & MOs

Info

ID:	28650
PubChem CID:	828789
Reduced:	FSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	304.026626
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	4.14
IP(EA), eV:	-8.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-nitrophenyl)sulfonylbenzotriazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=S)N[C@H]1C)C2=CC(=CC=C2)F

DOS

IR

Vibrations