Geometry & MOs

Info

ID:	73682
PubChem CID:	48419999
Reduced:	SN3O5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	392.89691
ΔH_f, kcal/mol:	-105.1
Dipole, Da:	4.64
IP(EA), eV:	-9.33(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC(=O)N)C(=O)CS(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations