Geometry & MOs

Info

ID:	393458
PubChem CID:	135020634
Reduced:	NSO6C16H27 (1)
Stoich.:	ABC6D16E27 (1)
Weight, g/mol:	406.232807
ΔH_f, kcal/mol:	-268.52
Dipole, Da:	3.71
IP(EA), eV:	-8.36(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-4-(cyclohexen-1-yl)-1,1-diphenyl-3-(trimethylsilylmethylidene)butane-1,4-diol

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)/C=N/S(=O)C(C)(C)C)C

DOS

IR

Vibrations