Geometry & MOs

Info

ID:	106630
PubChem CID:	50171070
Reduced:	N5O5C29H37 (1)
Stoich.:	A5B5C29D37 (1)
Weight, g/mol:	554.267525
ΔH_f, kcal/mol:	-192.57
Dipole, Da:	7.69
IP(EA), eV:	-8.53(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations