Geometry & MOs

Info

ID:	173730
PubChem CID:	75674463
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	373.073242
ΔH_f, kcal/mol:	-35.33
Dipole, Da:	5.63
IP(EA), eV:	-8.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzoyl-2-nitrophenyl)sulfanyl-6-hydroxy-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CC(OC1)CN(CC2=CC=CC=C2O)C(=S)NC3=CC=CC=C3

DOS

IR

Vibrations