Geometry & MOs

Info

ID:

106527

PubChem CID:

50166515

Reduced:

ClO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

562.290368

ΔHf, kcal/mol:

-177.23

Dipole, Da:

2.94

IP(EA), eV:

 -8.86(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-carbamoylanilino)-2-oxoethyl]-1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations