Geometry & MOs

Info

ID:	242991
PubChem CID:	99214894
Reduced:	S2N3O4C17H23 (1)
Stoich.:	A2B3C4D17E23 (1)
Weight, g/mol:	404.104208
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	4.69
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)CC3=CSC=N3)OC)OC

DOS

IR

Vibrations