Geometry & MOs

Info

ID:

82801

PubChem CID:

49856563

Reduced:

BrN2O7C24H27 (1)

Stoich.:

AB2C7D24E27 (1)

Weight, g/mol:

584.255393

ΔHf, kcal/mol:

-249.73

Dipole, Da:

3.38

IP(EA), eV:

 -8.75(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6,7-dimethoxy-3-[2-(methoxycarbonylamino)phenyl]-1-oxoisoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)[C@H]([C@H](N(C2=O)CCCBr)C3=CC=CC=C3NC(=O)OC)C(=O)OC)OC

DOS

IR

Vibrations