Geometry & MOs

Info

ID:	400064
PubChem CID:	135044953
Reduced:	NOSH13C16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	306.040858
ΔH_f, kcal/mol:	72.33
Dipole, Da:	2.36
IP(EA), eV:	-9.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2R)-2-ethyl-5-hydroxy-5-methoxy-2,4-dimethylpent-4-enoate;zirconium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=NOC(S2)C3=CC=CC=C3

DOS

IR

Vibrations