Geometry & MOs

Info

ID:	113581
PubChem CID:	50452039
Reduced:	F2O3N4C30H32 (1)
Stoich.:	A2B3C4D30E32 (1)
Weight, g/mol:	542.194103
ΔH_f, kcal/mol:	-181.02
Dipole, Da:	6.54
IP(EA), eV:	-8.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluorophenyl)-1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations