Geometry & MOs

Info

ID:	394849
PubChem CID:	135023944
Reduced:	NSO7C33H39 (1)
Stoich.:	ABC7D33E39 (1)
Weight, g/mol:	422.942169
ΔH_f, kcal/mol:	-201.81
Dipole, Da:	5.93
IP(EA), eV:	-8.42(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3CCC(C3)(C2C(=O)NC4=CC=CC=C4SC)C5=CC(=C(C(=C5)OC)OC)OC

DOS

IR

Vibrations