Geometry & MOs

Info

ID:	310525
PubChem CID:	126581563
Reduced:	S2O3N5C23H27 (1)
Stoich.:	A2B3C5D23E27 (1)
Weight, g/mol:	479.221818
ΔH_f, kcal/mol:	-63.74
Dipole, Da:	0.85
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCNC2)NC(=O)NCC3=C(SC4=C3CCNC4)N5C=CC=C5

DOS

IR

Vibrations