Geometry & MOs

Info

ID:	105326
PubChem CID:	50106929
Reduced:	ClO5N6C30H37 (1)
Stoich.:	AB5C6D30E37 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-202.73
Dipole, Da:	8.65
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-(3,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations