Geometry & MOs

Info

ID:

92384

PubChem CID:

49985466

Reduced:

O4N5C35H49 (1)

Stoich.:

A4B5C35D49 (1)

Weight, g/mol:

633.352634

ΔHf, kcal/mol:

-193.7

Dipole, Da:

7.26

IP(EA), eV:

 -8.74(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C

DOS

IR

Vibrations