Geometry & MOs

Info

ID:	194883
PubChem CID:	78602911
Reduced:	ClNO5C20H28 (1)
Stoich.:	ABC5D20E28 (1)
Weight, g/mol:	385.128255
ΔH_f, kcal/mol:	-217.59
Dipole, Da:	3.05
IP(EA), eV:	-9.69(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1(CC(C(C(C1)OCC=C)O)O)OCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations