Geometry & MOs

Info

ID:	245387
PubChem CID:	99444191
Reduced:	FNO3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	380.155849
ΔH_f, kcal/mol:	-90.56
Dipole, Da:	7.07
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-3-oxo-N-(4-phenylcyclohexyl)-4H-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)N[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations