Geometry & MOs

Info

ID:	182253
PubChem CID:	76865049
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	321.099457
ΔH_f, kcal/mol:	-67.96
Dipole, Da:	5.65
IP(EA), eV:	-8.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2,4-dioxo-1,3-diazinan-5-yl)sulfonyl-propan-2-ylamino]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)C=CC2=CC=CS2)CO

DOS

IR

Vibrations