Geometry & MOs

Info

ID:

220027

PubChem CID:

85165160

Reduced:

S2N6O7C28H38 (1)

Stoich.:

A2B6C7D28E38 (1)

Weight, g/mol:

634.344044

ΔHf, kcal/mol:

-257.65

Dipole, Da:

7.36

IP(EA), eV:

 -9.22(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 9-(benzhydrylideneamino)-10-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-10-oxodecanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)C(C)NC(=O)C2=CSC(=N2)C(C(C)C)NC(=O)C3=C(OC(=N3)C(C)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations