Geometry & MOs

Info

ID:	347287
PubChem CID:	127272081
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	389.123169
ΔH_f, kcal/mol:	-51.57
Dipole, Da:	1.83
IP(EA), eV:	-8.21(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)NC3=CC=CC4=C3C=CN4

DOS

IR

Vibrations