Geometry & MOs

Info

ID:	124793
PubChem CID:	50896247
Reduced:	BNSO4C8H8 (1)
Stoich.:	ABCD4E8F8 (1)
Weight, g/mol:	392.093844
ΔH_f, kcal/mol:	-179.56
Dipole, Da:	4.17
IP(EA), eV:	-9.23(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexen-1-yl)thiophen-2-yl]sulfinylthiophen-3-yl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

B1(OC(=O)CNCC(=O)O1)C2=CSC=C2

DOS

IR

Vibrations