Geometry & MOs

Info

ID:	221959
PubChem CID:	85292978
Reduced:	NSO4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	414.103064
ΔH_f, kcal/mol:	-142.13
Dipole, Da:	4.56
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)C(C1CC(C(=O)O1)CSC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations