Geometry & MOs

Info

ID:	340873
PubChem CID:	127263308
Reduced:	ClNSO4C18H22 (1)
Stoich.:	ABCD4E18F22 (1)
Weight, g/mol:	254.101505
ΔH_f, kcal/mol:	-135.77
Dipole, Da:	4.73
IP(EA), eV:	-9.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-azetidine-2-carbonitrile;oxalic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)CC(OC)OC

DOS

IR

Vibrations