Geometry & MOs

Info

ID:	297276
PubChem CID:	117614339
Reduced:	N3O3C28H39 (1)
Stoich.:	A3B3C28D39 (1)
Weight, g/mol:	236.071845
ΔH_f, kcal/mol:	-119.56
Dipole, Da:	3.57
IP(EA), eV:	-8.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,6S)-2-ethyl-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxymethanethioic S-acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)[C@H]3[C@H](C3(C)C)C(=O)O)N(CC(C)C)CC(C)C

DOS

IR

Vibrations