Geometry & MOs

Info

ID:	412629
PubChem CID:	135085526
Reduced:	S2O3C9H14 (1)
Stoich.:	A2B3C9D14 (1)
Weight, g/mol:	346.210387
ΔH_f, kcal/mol:	-106.68
Dipole, Da:	1.91
IP(EA), eV:	-8.69(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[10-[(2S)-1-methoxy-1-oxopropan-2-yl]-1,7-dioxa-4,10-diazacyclododec-4-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C(=C(SC)SC)C

DOS

IR

Vibrations