Geometry & MOs

Info

ID:	406817
PubChem CID:	135078689
Reduced:	NSO2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	92.081343
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	2.77
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;pent-1-en-3-olate

Drug info:

PubChemData

Smile

CCC(C)[C@@H](CS)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations