Geometry & MOs

Info

ID:

190299

PubChem CID:

77982388

Reduced:

SF3N6C19H23 (1)

Stoich.:

AB3C6D19E23 (1)

Weight, g/mol:

538.279135

ΔHf, kcal/mol:

-64.39

Dipole, Da:

7.07

IP(EA), eV:

 -8.7(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-2,2-dimethylbutanoyl]amino]-1-methylpyrrol-2-yl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)N2C=CC=C2CN3CCCC3C=NN=C(N)N)C(F)(F)F

DOS

IR

Vibrations