Geometry & MOs

Info

ID:

404711

PubChem CID:

135069817

Reduced:

O4C19H20 (1)

Stoich.:

A4B19C20 (1)

Weight, g/mol:

621.141715

ΔHf, kcal/mol:

-94.0

Dipole, Da:

2.98

IP(EA), eV:

 -8.75(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 12-[(4-methoxyphenyl)methyl]-9-(4-nitrophenyl)sulfonyl-13-oxa-9,12-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-15,15-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(CC2CCC23C(=CC4=CC=CC=C34)C1)C(=O)OC

DOS

IR

Vibrations