Geometry & MOs

Info

ID:

94563

PubChem CID:

50002334

Reduced:

F3O4N5C31H40 (1)

Stoich.:

A3B4C5D31E40 (1)

Weight, g/mol:

678.390497

ΔHf, kcal/mol:

-333.6

Dipole, Da:

3.34

IP(EA), eV:

 -8.85(-0.76)

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-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-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=CC(=C3)C(F)(F)F

DOS

IR

Vibrations