Geometry & MOs

Info

ID:	277822
PubChem CID:	103831100
Reduced:	FON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-106.97
Dipole, Da:	2.86
IP(EA), eV:	-9.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC(C1=CC=C(C=C1)F)C(C)C)N

DOS

IR

Vibrations