Geometry & MOs

Info

ID:	161696
PubChem CID:	57392362
Reduced:	SN2O4H26C29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	577.107434
ΔH_f, kcal/mol:	-48.82
Dipole, Da:	7.51
IP(EA), eV:	-8.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CC3(C2=O)C(C4CSCN4C35C6=CC=CC=C6NC5=O)C7=CC=CC=C7)OC

DOS

IR

Vibrations