Geometry & MOs

Info

ID:	105111
PubChem CID:	50106396
Reduced:	ClO5N6C29H37 (1)
Stoich.:	AB5C6D29E37 (1)
Weight, g/mol:	533.15966
ΔH_f, kcal/mol:	-217.34
Dipole, Da:	5.61
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-(3,4-dichloroanilino)-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=CC(=C3)NC(=O)C(C)C)Cl

DOS

IR

Vibrations