Geometry & MOs

Info

ID:	105222
PubChem CID:	50106674
Reduced:	FSO3N6C27H31 (1)
Stoich.:	ABC3D6E27F31 (1)
Weight, g/mol:	545.243833
ΔH_f, kcal/mol:	-107.02
Dipole, Da:	12.66
IP(EA), eV:	-8.56(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoylphenyl)-1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations