Geometry & MOs

Info

ID:	223925
PubChem CID:	85335787
Reduced:	NSO7C43H59 (1)
Stoich.:	ABC7D43E59 (1)
Weight, g/mol:	737.023914
ΔH_f, kcal/mol:	-297.78
Dipole, Da:	7.9
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC=C(C)C(C(C)C(CCSC)CC=C(C)C(=O)CC(C(C)CC)C(=O)O)OC(=O)C(C)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations