Geometry & MOs

Info

ID:

104751

PubChem CID:

50105256

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

593.337733

ΔHf, kcal/mol:

-233.1

Dipole, Da:

7.37

IP(EA), eV:

 -8.92(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations