Geometry & MOs

Info

ID:	201395
PubChem CID:	79533199
Reduced:	BrSN2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	358.98586
ΔH_f, kcal/mol:	26.02
Dipole, Da:	4.38
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(4-chloro-5-ethyl-2-methylpyrazol-3-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CC(C)CCNC1=NC2=C(S1)C=C(C=C2)Br

DOS

IR

Vibrations