Geometry & MOs

Info

ID:	283744
PubChem CID:	104003327
Reduced:	BrION4H8C10 (1)
Stoich.:	ABCD4E8F10 (1)
Weight, g/mol:	292.091535
ΔH_f, kcal/mol:	57.69
Dipole, Da:	4.8
IP(EA), eV:	-9.57(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-dithian-2-ylmethylcarbamoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CN1C(=NC=N1)NC(=O)C2=C(C=CC(=C2)I)Br

DOS

IR

Vibrations