Geometry & MOs

Info

ID:

304335

PubChem CID:

124538370

Reduced:

BrSCl2N2O2H19C24 (1)

Stoich.:

ABC2D2E2F19G24 (1)

Weight, g/mol:

591.22168

ΔHf, kcal/mol:

-6.5

Dipole, Da:

8.71

IP(EA), eV:

 -8.73(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (7R,12Z)-4-amino-7-(3-methoxy-4-propan-2-yloxyphenyl)-12-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-11-oxo-3,10-dioxa-1,5-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,8-triene-8-carboxylate

Drug info:

PubChemData

Smile

C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Br)C5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations