Geometry & MOs

Info

ID:

421772

PubChem CID:

135116566

Reduced:

N2S2O5C15H24 (1)

Stoich.:

A2B2C5D15E24 (1)

Weight, g/mol:

505.268905

ΔHf, kcal/mol:

-198.97

Dipole, Da:

3.84

IP(EA), eV:

 -9.7(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-methoxy-9-methyl-17,26-dioxa-3,9,20,21,22-pentazapentacyclo[25.2.2.13,7.119,22.011,16]tritriaconta-1(29),11(16),12,14,19(32),20,27,30-octaen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations