Geometry & MOs

Info

ID:

94671

PubChem CID:

50003093

Reduced:

FO5N6C36H51 (1)

Stoich.:

AB5C6D36E51 (1)

Weight, g/mol:

716.345296

ΔHf, kcal/mol:

-287.46

Dipole, Da:

10.88

IP(EA), eV:

 -8.65(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-chloro-3-[(3-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C)F

DOS

IR

Vibrations