Geometry & MOs

Info

ID:	395164
PubChem CID:	135024824
Reduced:	NSO3H27C29 (1)
Stoich.:	ABC3D27E29 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-17.82
Dipole, Da:	6.25
IP(EA), eV:	-8.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4R,5R)-5-hydroxy-4-methoxy-5-phenylpent-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](C[C@H](O[C@H]2C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4)C=C

DOS

IR

Vibrations