Geometry & MOs

Info

ID:	204687
PubChem CID:	79997266
Reduced:	ClOSBr2N2H9C13 (1)
Stoich.:	ABCD2E2F9G13 (1)
Weight, g/mol:	345.01466
ΔH_f, kcal/mol:	7.35
Dipole, Da:	1.04
IP(EA), eV:	-9.22(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C2=CC3=C(C=C2Br)NC(=O)N3)Cl)Br

DOS

IR

Vibrations