Geometry & MOs

Info

ID:

222993

PubChem CID:

85333702

Reduced:

O9C48H88 (1)

Stoich.:

A9B48C88 (1)

Weight, g/mol:

809.197689

ΔHf, kcal/mol:

-525.58

Dipole, Da:

3.64

IP(EA), eV:

 -8.31(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[1-[3-amino-4-(3,4-difluorophenyl)butanoyl]-4-[2-[3-(methanesulfonamido)anilino]-2-oxoethyl]piperazin-2-yl]acetate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCC)OCCCCCCCCCCCC)COC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations