Geometry & MOs

Info

ID:	202596
PubChem CID:	79696518
Reduced:	SN2O2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	11.85
Dipole, Da:	4.17
IP(EA), eV:	-9.36(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclopropylamino)-3-oxopropyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)NC(=O)C2=CSC(=C2)C#CCO

DOS

IR

Vibrations