Geometry & MOs

Info

ID:	284409
PubChem CID:	104046467
Reduced:	ClNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-51.74
Dipole, Da:	2.29
IP(EA), eV:	-9.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]acetate

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NCCC2=CC=C(S2)Cl

DOS

IR

Vibrations