Geometry & MOs

Info

ID:	104092
PubChem CID:	50091498
Reduced:	BrClF2O3N4H26C28 (1)
Stoich.:	ABC2D3E4F26G28 (1)
Weight, g/mol:	574.135002
ΔH_f, kcal/mol:	-163.95
Dipole, Da:	12.22
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)Cl

DOS

IR

Vibrations