Geometry & MOs

Info

ID:	122228
PubChem CID:	50798625
Reduced:	SN3O3H21C23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	455.097349
ΔH_f, kcal/mol:	-6.78
Dipole, Da:	2.6
IP(EA), eV:	-8.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-[2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2O1)CSC3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations