Geometry & MOs

Info

ID:

167479

PubChem CID:

74834084

Reduced:

SCl2N4O5C29H38 (1)

Stoich.:

AB2C4D5E29F38 (1)

Weight, g/mol:

554.219906

ΔHf, kcal/mol:

-240.77

Dipole, Da:

11.08

IP(EA), eV:

 -8.92(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-(benzylideneamino)oxy-N-cyclopropylsulfonyl-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadeca-7,15-diene-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)CCNCC(C3=CN=C(C=C3)N)O)OC4CCCCC4.Cl.Cl

DOS

IR

Vibrations