Geometry & MOs

Info

ID:	178098
PubChem CID:	76277301
Reduced:	ClSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	458.235162
ΔH_f, kcal/mol:	-119.02
Dipole, Da:	5.68
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[3-methyl-1-[[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCOC2=CC=CC=C2Cl)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations