Geometry & MOs

Info

ID:	208497
PubChem CID:	80537665
Reduced:	SBr2N2O2H8C13 (1)
Stoich.:	AB2C2D2E8F13 (1)
Weight, g/mol:	393.89216
ΔH_f, kcal/mol:	12.51
Dipole, Da:	4.39
IP(EA), eV:	-9.33(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,5-dibromothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC(=O)O)C3=CC(=C(S3)Br)Br

DOS

IR

Vibrations