Geometry & MOs

Info

ID:	105101
PubChem CID:	50106368
Reduced:	ClO5N6C30H39 (1)
Stoich.:	AB5C6D30E39 (1)
Weight, g/mol:	513.214282
ΔH_f, kcal/mol:	-221.76
Dipole, Da:	9.94
IP(EA), eV:	-8.92(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations