Geometry & MOs

Info

ID:	113624
PubChem CID:	50452412
Reduced:	F3O3N4C29H29 (1)
Stoich.:	A3B3C4D29E29 (1)
Weight, g/mol:	583.179788
ΔH_f, kcal/mol:	-211.72
Dipole, Da:	4.39
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations