Geometry & MOs

Info

ID:	122236
PubChem CID:	50798721
Reduced:	ClSN3O4H18C22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	453.208613
ΔH_f, kcal/mol:	-42.83
Dipole, Da:	2.52
IP(EA), eV:	-8.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2O1)CSC3=CC=C(C=C3)NC(=O)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations