Geometry & MOs

Info

ID:	382637
PubChem CID:	134973909
Reduced:	S2O5C23H32 (1)
Stoich.:	A2B5C23D32 (1)
Weight, g/mol:	368.256274
ΔH_f, kcal/mol:	-192.86
Dipole, Da:	4.28
IP(EA), eV:	-8.77(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S,3R,6S)-6-[(E,3S)-3-[(2R,3S,5R)-5-(1-methoxyethyl)-3-methyloxolan-2-yl]but-1-enyl]-3-methyloxan-2-yl]acetate

Drug info:

PubChemData

Smile

CC1CC23C(C(C1OC2=C(C(=O)O3)C4(SCCS4)[C@H](C)C[C@H](C)C(C=C)O)O)C=C

DOS

IR

Vibrations