Geometry & MOs

Info

ID:	107387
PubChem CID:	50201284
Reduced:	ClFO4N5C34H39 (1)
Stoich.:	ABC4D5E34F39 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-189.71
Dipole, Da:	7.8
IP(EA), eV:	-9.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-3-chlorophenyl)-1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)C)Cl

DOS

IR

Vibrations