Geometry & MOs

Info

ID:	242804
PubChem CID:	99206415
Reduced:	OSN4C23H26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	476.08593
ΔH_f, kcal/mol:	20.59
Dipole, Da:	4.68
IP(EA), eV:	-8.06(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-1-[3-[(4-fluorobenzoyl)amino]propanoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC(=CC=C3)N4CCCC4)C

DOS

IR

Vibrations