Geometry & MOs

Info

ID:

95684

PubChem CID:

50012192

Reduced:

F2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-252.13

Dipole, Da:

4.2

IP(EA), eV:

 -8.95(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-3-(methylcarbamoyl)anilino]-3-oxopropyl]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)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations