Geometry & MOs

Info

ID:

436722

PubChem CID:

135208122

Reduced:

NOH29C33 (2)

Stoich.:

ABC29D33 (2)

Weight, g/mol:

403.254501

ΔHf, kcal/mol:

115.14

Dipole, Da:

3.91

IP(EA), eV:

 -8.25(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-methylphenoxy)-N-propan-2-yl-N-(2-thiaspiro[4.7]dodecan-1-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCCCCC1=CC2=C(C=C1C3=CC(=CC(=C3OC)C4=CC=CC=C4)C(C)(CC)CC)C5=C(O2)C=CC(=C5)C6=CC(=CC(=C6)N7C8=CC=CC=C8C9=CC=CC=C97)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations