Geometry & MOs

Info

ID:

134553

PubChem CID:

51714100

Reduced:

SN2O4C23H24 (1)

Stoich.:

AB2C4D23E24 (1)

Weight, g/mol:

456.102289

ΔHf, kcal/mol:

-96.76

Dipole, Da:

7.84

IP(EA), eV:

 -8.48(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)O[C@@H](C)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations