Geometry & MOs

Info

ID:	408584
PubChem CID:	135081351
Reduced:	ClNOPSC10H13 (1)
Stoich.:	ABCDEF10G13 (1)
Weight, g/mol:	232.176306
ΔH_f, kcal/mol:	-98.71
Dipole, Da:	5.98
IP(EA), eV:	-9.6(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(2,3,4,5-tetrahydrooxepin-7-yl)azanide

Drug info:

PubChemData

Smile

C[C@H]1C(OP(=S)(N1C)Cl)C2=CC=CC=C2

DOS

IR

Vibrations