Geometry & MOs

Info

ID:	61695
PubChem CID:	26711840
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	-99.92
Dipole, Da:	5.42
IP(EA), eV:	-9.45(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cycloheptyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CCC(=O)NC2CCCCCC2

DOS

IR

Vibrations