Geometry & MOs

Info

ID:	208817
PubChem CID:	80589630
Reduced:	OSBr2N2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	-3.28
Dipole, Da:	4.02
IP(EA), eV:	-9.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamothioyl-N-cyclopentyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)(C(=S)N)C(=O)NC2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations