Geometry & MOs

Info

ID:	325747
PubChem CID:	126684750
Reduced:	NSO7C28H31 (1)
Stoich.:	ABC7D28E31 (1)
Weight, g/mol:	148.100048
ΔH_f, kcal/mol:	-246.92
Dipole, Da:	6.78
IP(EA), eV:	-8.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(S2)CC(C)C(=O)C3=C(C=C(OC3=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations