Geometry & MOs

Info

ID:

100721

PubChem CID:

50063796

Reduced:

FO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

772.295152

ΔHf, kcal/mol:

-206.19

Dipole, Da:

6.4

IP(EA), eV:

 -9.03(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-[(3-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)N5CCCC5

DOS

IR

Vibrations