Geometry & MOs

Info

ID:	142203
PubChem CID:	53000193
Reduced:	ClSN2O4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	472.166808
ΔH_f, kcal/mol:	-127.95
Dipole, Da:	10.21
IP(EA), eV:	-8.8(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(C(=O)N(S2(=O)=O)CC(=O)NC3=C(C=CC(=C3)Cl)C)C

DOS

IR

Vibrations