Geometry & MOs

Info

ID:	104391
PubChem CID:	50104199
Reduced:	ClO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	533.15966
ΔH_f, kcal/mol:	-169.73
Dipole, Da:	3.89
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations