Geometry & MOs

Info

ID:	63013
PubChem CID:	26737984
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-98.74
Dipole, Da:	4.82
IP(EA), eV:	-9.73(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations