Geometry & MOs

Info

ID:

170906

PubChem CID:

75297906

Reduced:

N2O4C15H20 (1)

Stoich.:

A2B4C15D20 (1)

Weight, g/mol:

774.341084

ΔHf, kcal/mol:

-96.83

Dipole, Da:

7.46

IP(EA), eV:

 -9.67(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-5,23,37,39-tetraoxo-16-oxa-1,4,24,36,42-pentazahexacyclo[23.13.1.13,38.16,10.111,15.033,35]dotetraconta-6,8,10(42),11(41),12,14,31-heptaene-35-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1(CCCN1)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations