Geometry & MOs

Info

ID:

44027

PubChem CID:

10322987

Reduced:

O5H30C31 (1)

Stoich.:

A5B30C31 (1)

Weight, g/mol:

482.260314

ΔHf, kcal/mol:

-149.13

Dipole, Da:

4.55

IP(EA), eV:

 -9.46(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-2-[[2-[pentan-3-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]propanoic acid

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](CC(=O)O2)[C@H]([C@@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)/C=C/[C@H](CCC5=CC=CC=C5)O

DOS

IR

Vibrations