Geometry & MOs

Info

ID:	46587
PubChem CID:	10525399
Reduced:	O2C13H15 (2)
Stoich.:	A2B13C15 (2)
Weight, g/mol:	406.213758
ΔH_f, kcal/mol:	-145.16
Dipole, Da:	5.83
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[N-[(4R,5R)-4-(diethoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]-C-methylsulfanylcarbonimidoyl]carbamate

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O)C5=CC=C(C=C5)OCCO

DOS

IR

Vibrations