Geometry & MOs

Info

ID:

95689

PubChem CID:

50012302

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

589.17

ΔHf, kcal/mol:

-200.48

Dipole, Da:

10.09

IP(EA), eV:

 -8.87(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-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)NCCC(=O)NC3=CC=CC(=C3)NC(=O)C

DOS

IR

Vibrations