Geometry & MOs

Info

ID:	69452
PubChem CID:	47178491
Reduced:	SN3O3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	314.085577
ΔH_f, kcal/mol:	-44.79
Dipole, Da:	3.27
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1COC(CO1)C(=O)NC2=NC(=CS2)C3=CC=CC=N3

DOS

IR

Vibrations