Geometry & MOs

Info

ID:	192334
PubChem CID:	78257466
Reduced:	SN3O3C24H31 (1)
Stoich.:	AB3C3D24E31 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-99.89
Dipole, Da:	3.65
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanylethyl 4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)CN1C2C(C3=C(S2)CCC3)C(=O)N(C1=O)CC4=CC=CC=C4

DOS

IR

Vibrations