Geometry & MOs

Info

ID:	145692
PubChem CID:	53572599
Reduced:	ClFN2O3C16H18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	339.071134
ΔH_f, kcal/mol:	-159.72
Dipole, Da:	4.0
IP(EA), eV:	-9.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-1,3-thiazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1CC(C(=O)O1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations