Geometry & MOs

Info

ID:	242939
PubChem CID:	99214390
Reduced:	BrSO2N5C20H26 (1)
Stoich.:	ABC2D5E20F26 (1)
Weight, g/mol:	459.138341
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	4.53
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)CCNC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations