Geometry & MOs

Info

ID:	263254
PubChem CID:	103349685
Reduced:	S3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	385.93292
ΔH_f, kcal/mol:	85.63
Dipole, Da:	5.46
IP(EA), eV:	-8.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[(3-bromothiophen-2-yl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC2=C(C(=NS2)N)C3=NC(=CS3)C

DOS

IR

Vibrations