Geometry & MOs

Info

ID:

94559

PubChem CID:

50002276

Reduced:

BrO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-166.34

Dipole, Da:

4.36

IP(EA), eV:

 -8.89(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-[(3-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations