Geometry & MOs

Info

ID:	118369
PubChem CID:	50639897
Reduced:	ClN5O5C30H38 (1)
Stoich.:	AB5C5D30E38 (1)
Weight, g/mol:	527.229932
ΔH_f, kcal/mol:	-200.03
Dipole, Da:	4.49
IP(EA), eV:	-9.19(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations