Geometry & MOs

Info

ID:	244695
PubChem CID:	99376427
Reduced:	SO2F3N4C17H17 (1)
Stoich.:	AB2C3D4E17F17 (1)
Weight, g/mol:	383.052897
ΔH_f, kcal/mol:	-189.47
Dipole, Da:	5.6
IP(EA), eV:	-9.58(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C(F)(F)F)SCC(=O)NCCC(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations