Geometry & MOs

Info

ID:

387335

PubChem CID:

134984972

Reduced:

ClSN2O4C19H19 (1)

Stoich.:

ABC2D4E19F19 (1)

Weight, g/mol:

380.156992

ΔHf, kcal/mol:

-93.25

Dipole, Da:

5.34

IP(EA), eV:

 -9.92(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-1-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-(2-fluorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C[C@@H]2C(=O)OC)C(=C)C3=NC=CC(=C3)Cl

DOS

IR

Vibrations