Geometry & MOs

Info

ID:	105161
PubChem CID:	50106516
Reduced:	O5N6C34H40 (1)
Stoich.:	A5B6C34D40 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-177.67
Dipole, Da:	8.13
IP(EA), eV:	-8.54(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C)C

DOS

IR

Vibrations