Geometry & MOs

Info

ID:

96536

PubChem CID:

50022043

Reduced:

FN6O6C40H51 (1)

Stoich.:

AB6C6D40E51 (1)

Weight, g/mol:

750.354111

ΔHf, kcal/mol:

-282.91

Dipole, Da:

7.88

IP(EA), eV:

 -8.86(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(phenylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations