Geometry & MOs

Info

ID:	243950
PubChem CID:	99302966
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	494.148713
ΔH_f, kcal/mol:	-134.47
Dipole, Da:	7.73
IP(EA), eV:	-8.34(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN(C[C@@H]2CCCO2)C(=O)C3=CC=C(C=C3)N4CCC[C@@H](C4)C(=O)N

DOS

IR

Vibrations