Geometry & MOs

Info

ID:	395862
PubChem CID:	135026747
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	690.272896
ΔH_f, kcal/mol:	-140.47
Dipole, Da:	9.8
IP(EA), eV:	-8.61(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-difluoro-2-phenyl-1-phenylsulfanyl-3-[(1R,4S)-4-(4-tributylstannylbut-3-enyl)cyclopent-2-en-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/C1=CN([C@@H]2CCCC[C@H]2C1=O)C

DOS

IR

Vibrations