Geometry & MOs

Info

ID:	195663
PubChem CID:	78719788
Reduced:	N2S2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	411.143035
ΔH_f, kcal/mol:	-76.82
Dipole, Da:	4.51
IP(EA), eV:	-9.15(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CN2CCCC2C3=CC=CS3

DOS

IR

Vibrations