Geometry & MOs

Info

ID:

106595

PubChem CID:

50170308

Reduced:

SN5O5C30H39 (1)

Stoich.:

AB5C5D30E39 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-185.46

Dipole, Da:

7.01

IP(EA), eV:

 -8.7(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations