Geometry & MOs

Info

ID:	245451
PubChem CID:	99444944
Reduced:	OSN3C23H25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	422.166414
ΔH_f, kcal/mol:	24.45
Dipole, Da:	4.68
IP(EA), eV:	-9.15(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[cyclopentyl(2-phenylethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)N(CCC3=CC=CC=C3)C4CCCC4

DOS

IR

Vibrations