Geometry & MOs

Info

ID:	187472
PubChem CID:	77576211
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	446.115699
ΔH_f, kcal/mol:	-76.91
Dipole, Da:	6.86
IP(EA), eV:	-9.03(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopentyl-(2-methylsulfonylacetyl)amino]-5-(3,3,3-trifluoro-2-oxopropyl)sulfanylpentanamide

Drug info:

PubChemData

Smile

CNC(=O)NCCCCC(C1=NC=C(N1)C2=CC3=CC=CC=C3C=C2)NC(=O)O

DOS

IR

Vibrations