Geometry & MOs

Info

ID:	110481
PubChem CID:	50326117
Reduced:	ClO4N5C29H30 (1)
Stoich.:	AB4C5D29E30 (1)
Weight, g/mol:	499.198632
ΔH_f, kcal/mol:	-116.85
Dipole, Da:	7.85
IP(EA), eV:	-8.66(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-(5-chloro-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)NC(=O)C4=CC=CC=C4)Cl)C(=O)N

DOS

IR

Vibrations