Geometry & MOs

Info

ID:	244702
PubChem CID:	99376453
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	468.219512
ΔH_f, kcal/mol:	-22.26
Dipole, Da:	3.5
IP(EA), eV:	-9.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations