Geometry & MOs

Info

ID:	232596
PubChem CID:	87576483
Reduced:	NSO6C9H15 (1)
Stoich.:	ABC6D9E15 (1)
Weight, g/mol:	192.172545
ΔH_f, kcal/mol:	-229.32
Dipole, Da:	5.64
IP(EA), eV:	-9.04(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butane;1-methoxy-2-(2-methoxyethoxy)ethane

Drug info:

PubChemData

Smile

C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)N=C=S

DOS

IR

Vibrations