Geometry & MOs

Info

ID:	69075
PubChem CID:	46517802
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	353.156184
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	4.21
IP(EA), eV:	-9.09(-0.75)
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-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=N2)NC(=O)CC3CCC=C3

DOS

IR

Vibrations