Geometry & MOs

Info

ID:

82707

PubChem CID:

49856373

Reduced:

SiN2O8C29H40 (1)

Stoich.:

AB2C8D29E40 (1)

Weight, g/mol:

520.08451

ΔHf, kcal/mol:

-365.33

Dipole, Da:

4.32

IP(EA), eV:

 -8.6(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R)-2-(3-bromopropyl)-6,7-dimethoxy-3-[2-(methoxycarbonylamino)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCN1[C@@H]([C@@H](C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC=CC=C3NC(=O)OC

DOS

IR

Vibrations