Geometry & MOs

Info

ID:

104887

PubChem CID:

50105878

Reduced:

F2O4N5C36H43 (1)

Stoich.:

A2B4C5D36E43 (1)

Weight, g/mol:

687.219066

ΔHf, kcal/mol:

-238.87

Dipole, Da:

11.39

IP(EA), eV:

 -8.75(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations