Geometry & MOs

Info

ID:

95633

PubChem CID:

50010840

Reduced:

N5O5C28H35 (1)

Stoich.:

A5B5C28D35 (1)

Weight, g/mol:

537.258734

ΔHf, kcal/mol:

-180.87

Dipole, Da:

7.75

IP(EA), eV:

 -9.18(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)C

DOS

IR

Vibrations