Geometry & MOs

Info

ID:	244694
PubChem CID:	99376426
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	398.102431
ΔH_f, kcal/mol:	-77.06
Dipole, Da:	5.02
IP(EA), eV:	-8.74(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-4-ylmethyl)-3-[[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC=C2CC(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations