Geometry & MOs

Info

ID:	181364
PubChem CID:	76734868
Reduced:	NSO6C33H41 (1)
Stoich.:	ABC6D33E41 (1)
Weight, g/mol:	390.239
ΔH_f, kcal/mol:	-245.6
Dipole, Da:	11.8
IP(EA), eV:	-8.81(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CSC6=CC=C(C=C6)NC(=O)C)C)O)C

DOS

IR

Vibrations