Geometry & MOs

Info

ID:	284408
PubChem CID:	104046463
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	273.059028
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	2.72
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylacetate

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations