Geometry & MOs

Info

ID:	177148
PubChem CID:	76141421
Reduced:	SN3O10C45H83 (1)
Stoich.:	AB3C10D45E83 (1)
Weight, g/mol:	352.091535
ΔH_f, kcal/mol:	-598.53
Dipole, Da:	6.33
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-sulfanylphenyl) 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(CSCCC(=O)NC(C(=O)NC(CCC(=O)O)C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations