Geometry & MOs

Info

ID:

44917

PubChem CID:

10506522

Reduced:

SN2O8C26H36 (1)

Stoich.:

AB2C8D26E36 (1)

Weight, g/mol:

536.188212

ΔHf, kcal/mol:

-315.5

Dipole, Da:

11.05

IP(EA), eV:

 -9.56(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-benzyl-6-methyl-8-(4-nitrophenyl)-4-phenylspiro[2-oxa-10-thia-4,5,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5-triene-11,1'-cyclopentane]

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCNC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations