Geometry & MOs

Info

ID:	105152
PubChem CID:	50106500
Reduced:	O5N6C30H40 (1)
Stoich.:	A5B6C30D40 (1)
Weight, g/mol:	550.290368
ΔH_f, kcal/mol:	-211.03
Dipole, Da:	9.89
IP(EA), eV:	-8.89(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-oxo-3-[2-(propylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)C

DOS

IR

Vibrations