Geometry & MOs

Info

ID:	110646
PubChem CID:	50333811
Reduced:	N5O5C29H39 (1)
Stoich.:	A5B5C29D39 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-199.57
Dipole, Da:	3.53
IP(EA), eV:	-8.34(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(propanoylamino)phenyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)CC)C

DOS

IR

Vibrations