Geometry & MOs

Info

ID:	196252
PubChem CID:	78803020
Reduced:	NOSC18H25 (1)
Stoich.:	ABCD18E25 (1)
Weight, g/mol:	352.156912
ΔH_f, kcal/mol:	-50.28
Dipole, Da:	2.98
IP(EA), eV:	-9.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CS1)C(=O)C2C3CC4CC(C3)CC2C4

DOS

IR

Vibrations