Geometry & MOs

Info

ID:	31783
PubChem CID:	3718135
Reduced:	BrNS2O3H16C19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	314.98686
ΔH_f, kcal/mol:	-39.24
Dipole, Da:	7.4
IP(EA), eV:	-8.46(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-5-(2-methoxyphenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=CC=C2SC3=CC=CC=C3

DOS

IR

Vibrations