Geometry & MOs

Info

ID:

49912

PubChem CID:

11534297

Reduced:

FON7C33H42 (1)

Stoich.:

ABC7D33E42 (1)

Weight, g/mol:

571.271377

ΔHf, kcal/mol:

-28.66

Dipole, Da:

7.45

IP(EA), eV:

 -8.42(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3-methyl-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCCN1C2=NC(=CC(=N2)N3CCN(CC3)C4=NC=C(C=C4C)C(=O)N(C)C5CCCCC5)C6=CC=C(C=C6)F

DOS

IR

Vibrations