Geometry & MOs

Info

ID:	95824
PubChem CID:	50015392
Reduced:	F3O4N5C28H34 (1)
Stoich.:	A3B4C5D28E34 (1)
Weight, g/mol:	555.261232
ΔH_f, kcal/mol:	-283.72
Dipole, Da:	10.25
IP(EA), eV:	-8.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-chloroanilino)-3-oxopropyl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations