Geometry & MOs

Info

ID:

107365

PubChem CID:

50200412

Reduced:

O5N6C40H58 (1)

Stoich.:

A5B6C40D58 (1)

Weight, g/mol:

730.385412

ΔHf, kcal/mol:

-250.89

Dipole, Da:

5.49

IP(EA), eV:

 -8.57(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4CCCCC4)C

DOS

IR

Vibrations