Geometry & MOs

Info

ID:	311154
PubChem CID:	126589649
Reduced:	O3S3C28H30 (1)
Stoich.:	A3B3C28D30 (1)
Weight, g/mol:	547.221486
ΔH_f, kcal/mol:	-45.35
Dipole, Da:	2.83
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropylsulfanyl-3-[3-[[5-[3-(dimethylamino)phenyl]-4-(5,5-dimethylcyclopenten-1-yl)thiophen-3-yl]methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCC=C1C2=C(SC=C2COC3=CC=CC(=C3)C(CC(=O)O)SC4CC4)C5=CSC=C5)C

DOS

IR

Vibrations