Geometry & MOs

Info

ID:	56666
PubChem CID:	17505752
Reduced:	SN2O3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	409.037783
ΔH_f, kcal/mol:	-13.3
Dipole, Da:	3.04
IP(EA), eV:	-9.07(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations