Geometry & MOs

Info

ID:	85435
PubChem CID:	49875092
Reduced:	ClS2O5N6C23H25 (1)
Stoich.:	AB2C5D6E23F25 (1)
Weight, g/mol:	338.085781
ΔH_f, kcal/mol:	-83.45
Dipole, Da:	1.77
IP(EA), eV:	-8.9(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[bis[(2-methoxy-2-oxoethyl)sulfanyl]methyl]pentanoate

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC=C(S2)C3=C(SC=C3)C4=NNN=N4)C(=O)OC(C)OC(=O)OCC)Cl

DOS

IR

Vibrations