Geometry & MOs

Info

ID:	112213
PubChem CID:	50398647
Reduced:	ClO4N5C30H40 (1)
Stoich.:	AB4C5D30E40 (1)
Weight, g/mol:	589.22226
ΔH_f, kcal/mol:	-177.32
Dipole, Da:	4.68
IP(EA), eV:	-8.83(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dichloroanilino)-3-oxopropyl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C)Cl)C

DOS

IR

Vibrations