Geometry & MOs

Info

ID:

114216

PubChem CID:

50474600

Reduced:

F3O5N6C34H37 (1)

Stoich.:

A3B5C6D34E37 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-301.25

Dipole, Da:

6.93

IP(EA), eV:

 -8.94(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[4-methyl-3-(2-methylbutanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C(C)C)F)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations