Geometry & MOs

Info

ID:	123088
PubChem CID:	50832375
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	461.063462
ΔH_f, kcal/mol:	68.97
Dipole, Da:	1.67
IP(EA), eV:	-8.78(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC3=CC=CC=C3C(=C2)C4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations