Geometry & MOs

Info

ID:	394979
PubChem CID:	135024350
Reduced:	O2C8H13 (2)
Stoich.:	A2B8C13 (2)
Weight, g/mol:	372.179287
ΔH_f, kcal/mol:	-205.89
Dipole, Da:	5.21
IP(EA), eV:	-9.35(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(1R,3S,4R)-2-formyl-4-methyl-3-[2-(2-methyl-1,3-dithian-2-yl)ethyl]cyclohexyl]propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C([C@H]1CCC(=O)C)C=O)[C@@H](C)C(=O)OC

DOS

IR

Vibrations