Geometry & MOs

Info

ID:

99289

PubChem CID:

50049671

Reduced:

Cl2F2O4N5C31H31 (1)

Stoich.:

A2B2C4D5E31F31 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-219.34

Dipole, Da:

6.29

IP(EA), eV:

 -9.02(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations