Geometry & MOs

Info

ID:	395054
PubChem CID:	135024526
Reduced:	S2O3N4H16C17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-35.14
Dipole, Da:	11.06
IP(EA), eV:	-8.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,4S,5S)-5-hydroxy-4-methoxy-6-phenylmethoxyhex-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations