Geometry & MOs

Info

ID:

100006

PubChem CID:

50057265

Reduced:

FCl2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-184.41

Dipole, Da:

2.81

IP(EA), eV:

 -8.89(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations