Geometry & MOs

Info

ID:

240434

PubChem CID:

93579043

Reduced:

NO4C22H31 (1)

Stoich.:

AB4C22D31 (1)

Weight, g/mol:

506.190915

ΔHf, kcal/mol:

-146.03

Dipole, Da:

3.95

IP(EA), eV:

 -8.31(0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-2-[[(2R)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC[C@H](CN(C[C@@H]2CCCO2)CC3=CC=C(O3)C)O)C

DOS

IR

Vibrations