Geometry & MOs

Info

ID:	401097
PubChem CID:	135050108
Reduced:	SN2O11C27H30 (1)
Stoich.:	AB2C11D27E30 (1)
Weight, g/mol:	132.112643
ΔH_f, kcal/mol:	-410.02
Dipole, Da:	7.38
IP(EA), eV:	-9.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;1-methoxyhept-2-yne

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NN=C[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations