Geometry & MOs

Info

ID:	94805
PubChem CID:	50003995
Reduced:	N4O5C29H40 (1)
Stoich.:	A4B5C29D40 (1)
Weight, g/mol:	482.269319
ΔH_f, kcal/mol:	-199.32
Dipole, Da:	5.54
IP(EA), eV:	-8.45(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations