Geometry & MOs

Info

ID:	113569
PubChem CID:	50451530
Reduced:	F2O3N4C30H32 (1)
Stoich.:	A2B3C4D30E32 (1)
Weight, g/mol:	598.13911
ΔH_f, kcal/mol:	-174.5
Dipole, Da:	6.45
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations