Geometry & MOs

Info

ID:	396229
PubChem CID:	135027770
Reduced:	NO6C12H17 (1)
Stoich.:	AB6C12D17 (1)
Weight, g/mol:	204.063388
ΔH_f, kcal/mol:	-220.53
Dipole, Da:	2.14
IP(EA), eV:	-10.23(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,4S,5R,6R)-3,4,5,6-tetrahydroxycyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C(O1)C([C@H](O2)[C@@H](C(=O)NCC#C)O)O)C

DOS

IR

Vibrations