Geometry & MOs

Info

ID:	105105
PubChem CID:	50106373
Reduced:	O5N6C26H32 (1)
Stoich.:	A5B6C26D32 (1)
Weight, g/mol:	534.244247
ΔH_f, kcal/mol:	-191.48
Dipole, Da:	7.7
IP(EA), eV:	-8.84(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)N

DOS

IR

Vibrations