Geometry & MOs

Info

ID:	185078
PubChem CID:	77251670
Reduced:	ClOSN5C19H22 (1)
Stoich.:	ABCD5E19F22 (1)
Weight, g/mol:	396.196815
ΔH_f, kcal/mol:	6.33
Dipole, Da:	2.55
IP(EA), eV:	-8.95(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethoxy-2-phenyl-7-(2-trimethylsilylethyl)-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-ol

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC3=C(C=C2)C(=NN3)C(=O)NC4CN5CCC4CC5.Cl

DOS

IR

Vibrations