Geometry & MOs

Info

ID:	92498
PubChem CID:	49987345
Reduced:	ClO4N5C34H44 (1)
Stoich.:	AB4C5D34E44 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-182.71
Dipole, Da:	9.61
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations