Geometry & MOs

Info

ID:	431440
PubChem CID:	135171520
Reduced:	OSBr2N4C14H18 (1)
Stoich.:	ABC2D4E14F18 (1)
Weight, g/mol:	260.06532
ΔH_f, kcal/mol:	104.49
Dipole, Da:	6.49
IP(EA), eV:	-8.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(E)-4-amino-2-methylbut-3-en-2-yl] N-[(3R)-2-oxothiolan-3-yl]carbamothioate

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](N1C3=NC(=CS3)N4CN(C(=C4Br)Br)C)COC2

DOS

IR

Vibrations