Geometry & MOs

Info

ID:	244734
PubChem CID:	99381250
Reduced:	SN4O5C17H18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	466.092261
ΔH_f, kcal/mol:	-164.4
Dipole, Da:	2.89
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-[[2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)N

DOS

IR

Vibrations