Geometry & MOs

Info

ID:	142577
PubChem CID:	53059907
Reduced:	SN3O5C26H31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	462.101621
ΔH_f, kcal/mol:	-115.54
Dipole, Da:	5.35
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=C(C=CC(=C3)C4=CC(=NO4)C)OC)C

DOS

IR

Vibrations