Geometry & MOs

Info

ID:	136311
PubChem CID:	52017697
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-129.0
Dipole, Da:	4.43
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)NC2=CC=CC=C2S1)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations