Geometry & MOs

Info

ID:	136310
PubChem CID:	52017194
Reduced:	SO3N6C24H30 (1)
Stoich.:	AB3C6D24E30 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-47.88
Dipole, Da:	6.38
IP(EA), eV:	-8.48(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OCC4=NN=NN4C(C)C

DOS

IR

Vibrations