Geometry & MOs

Info

ID:	69378
PubChem CID:	46530897
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	401.157326
ΔH_f, kcal/mol:	11.11
Dipole, Da:	3.47
IP(EA), eV:	-8.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CSC2=CC=CC=C2C(=O)NC3=CC=CC4=C3CCCC4

DOS

IR

Vibrations