Geometry & MOs

Info

ID:	113570
PubChem CID:	50451531
Reduced:	BrF2O3N4C29H29 (1)
Stoich.:	AB2C3D4E29F29 (1)
Weight, g/mol:	548.223512
ΔH_f, kcal/mol:	-167.17
Dipole, Da:	7.62
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations