Geometry & MOs

Info

ID:	320310
PubChem CID:	126659490
Reduced:	Br2S6C85H98 (1)
Stoich.:	A2B6C85D98 (1)
Weight, g/mol:	240.91707
ΔH_f, kcal/mol:	109.41
Dipole, Da:	0.37
IP(EA), eV:	-8.21(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-1,3-thiazole-2,5-diamine

Drug info:

Smile

CCCCCCCCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C6=C(S5)C7=C(S6)C=C(S7)Br)C(C8=C4SC9=C8SC1=C9SC(=C1)Br)(C1=CC=C(C=C1)C)C1=CC=C(C=C1)CCCCCCCCCCCC)C1=CC=C(C=C1)CCCCCCCCCCCC

DOS

IR

Vibrations