Geometry & MOs

Info

ID:	183515
PubChem CID:	77033342
Reduced:	SO2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	345.01466
ΔH_f, kcal/mol:	27.96
Dipole, Da:	2.56
IP(EA), eV:	-9.13(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(C(=O)N=C1)C(=O)NCC2=CC(=CS2)C#CCN

DOS

IR

Vibrations