Geometry & MOs

Info

ID:

391569

PubChem CID:

135006575

Reduced:

BrNOS17C139H168 (1)

Stoich.:

ABCD17E139F168 (1)

Weight, g/mol:

403.163742

ΔHf, kcal/mol:

25.41

Dipole, Da:

1.47

IP(EA), eV:

 -8.5(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-dimethyl-[4-methylidene-6-(4-methylphenyl)sulfonyl-5,7-dihydrofuro[2,3-c]pyridin-2-yl]silane

Drug info:

PubChemData

Smile

CC(C)CC1=C(SC(=C1)C2=CC=C(S2)C3=CC=C(C=C3)NC=O)C4=CC(=C(S4)C5=CC(=C(S5)C6=CC(=C(S6)C7=CC(=C(S7)C8=CC(=C(S8)C9=CC(=C(S9)C1=CC(=C(S1)C1=CC(=C(S1)C1=CC(=C(S1)C1=CC(=C(S1)C1=CC(=C(S1)C1=CC(=C(S1)C1=CC(=C(S1)C1=CC(=C(S1)C1=CC(=C(S1)Br)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C

DOS

IR

Vibrations