Geometry & MOs

Info

ID:	148814
PubChem CID:	53788483
Reduced:	OC11H17 (2)
Stoich.:	AB11C17 (2)
Weight, g/mol:	402.981225
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	4.73
IP(EA), eV:	-8.07(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(2,3-dichlorophenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@]3(C)O)C)[C@@]4(C1=C(C(=O)CC4)C)C

DOS

IR

Vibrations