Geometry & MOs

Info

ID:	53339
PubChem CID:	14710506
Reduced:	NSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	274.090175
ΔH_f, kcal/mol:	-43.87
Dipole, Da:	4.59
IP(EA), eV:	-9.07(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1[C@]2(O1)CC([C@@H]3[C@H]2O3)(NC=O)SC4=CC=C(C=C4)C

DOS

IR

Vibrations