Geometry & MOs

Info

ID:

105168

PubChem CID:

50106534

Reduced:

ClO3F4N4H29C30 (1)

Stoich.:

AB3C4D4E29F30 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-295.57

Dipole, Da:

9.54

IP(EA), eV:

 -8.63(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[2-methoxy-5-[(2-methylcyclohexyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations