Geometry & MOs

Info

ID:	207988
PubChem CID:	80476994
Reduced:	BrOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	314.97894
ΔH_f, kcal/mol:	-31.27
Dipole, Da:	6.53
IP(EA), eV:	-8.68(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-bromothiophen-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NCC2=C(C=CS2)Br)N

DOS

IR

Vibrations