Geometry & MOs

Info

ID:	130624
PubChem CID:	51091796
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	-134.36
Dipole, Da:	4.32
IP(EA), eV:	-9.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pyridin-2-yl-3-[[2-(pyridin-4-ylmethylsulfanyl)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NCC(=O)NCCC(=O)NC1=CC=CC=N1

DOS

IR

Vibrations