Geometry & MOs

Info

ID:	159514
PubChem CID:	57288295
Reduced:	ClNPO7C21H35 (1)
Stoich.:	ABCD7E21F35 (1)
Weight, g/mol:	245.002575
ΔH_f, kcal/mol:	-388.74
Dipole, Da:	6.25
IP(EA), eV:	-9.21(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-7-methylsulfonyl-4H-1,2,3-benzotriazine

Drug info:

PubChemData

Smile

CCOC(OCC)P(=O)(CC(CNC(=O)OC(C)(C)C)(C1=CC=C(C=C1)Cl)O)OCC

DOS

IR

Vibrations