Geometry & MOs

Info

ID:	119169
PubChem CID:	50672562
Reduced:	ClO4N5C30H38 (1)
Stoich.:	AB4C5D30E38 (1)
Weight, g/mol:	609.308183
ΔH_f, kcal/mol:	-167.3
Dipole, Da:	3.78
IP(EA), eV:	-9.12(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCCC2)Cl)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC

DOS

IR

Vibrations