Geometry & MOs

Info

ID:

115328

PubChem CID:

50519084

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

669.228488

ΔHf, kcal/mol:

-185.19

Dipole, Da:

6.16

IP(EA), eV:

 -8.52(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations