Geometry & MOs

Info

ID:

129001

PubChem CID:

51065835

Reduced:

FSN2O2C19H21 (1)

Stoich.:

ABC2D2E19F21 (1)

Weight, g/mol:

834.362865

ΔHf, kcal/mol:

-97.74

Dipole, Da:

4.71

IP(EA), eV:

-8.63(-0.49)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[2-[[(Z)-[7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-8-[[2-(2-oxopyrrolidin-1-yl)anilino]methylidene]-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl]amino]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)NC2=CC=CC=C2F

DOS

IR

Vibrations