Geometry & MOs

Info

ID:	133246
PubChem CID:	51497477
Reduced:	SO4N5C16H21 (1)
Stoich.:	AB4C5D16E21 (1)
Weight, g/mol:	388.076279
ΔH_f, kcal/mol:	-105.18
Dipole, Da:	4.89
IP(EA), eV:	-9.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-4-methylsulfanyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoate

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)NC[C@@H](C)N3C(=NC(=N3)C)C

DOS

IR

Vibrations