Geometry & MOs

Info

ID:	79927
PubChem CID:	49831425
Reduced:	BrNSO2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	288.193674
ΔH_f, kcal/mol:	-35.93
Dipole, Da:	6.61
IP(EA), eV:	-9.6(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3S,4R)-3-(methoxymethoxy)-4-methyl-7-(oxan-2-yloxy)hept-5-en-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C/C=C/CBr

DOS

IR

Vibrations