Geometry & MOs

Info

ID:	18660
PubChem CID:	545461
Reduced:	NSF3O3C9H13 (2)
Stoich.:	ABC3D3E9F13 (2)
Weight, g/mol:	544.113648
ΔH_f, kcal/mol:	-598.22
Dipole, Da:	4.15
IP(EA), eV:	-9.35(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-[[3-butoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C(CSSCC(C(=O)OCCCC)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F

DOS

IR

Vibrations