Geometry & MOs

Info

ID:	110284
PubChem CID:	50318801
Reduced:	ClO4N5C27H32 (1)
Stoich.:	AB4C5D27E32 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-148.77
Dipole, Da:	5.98
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-anilino-3-oxopropyl)-1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)N4CCCC4)Cl)C(=O)N

DOS

IR

Vibrations