Geometry & MOs

Info

ID:

95401

PubChem CID:

50009047

Reduced:

BrO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

624.343547

ΔHf, kcal/mol:

-214.94

Dipole, Da:

7.14

IP(EA), eV:

 -9.13(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC(C)C

DOS

IR

Vibrations