Geometry & MOs

Info

ID:	244741
PubChem CID:	99381303
Reduced:	SO2N5H23C25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	428.03064
ΔH_f, kcal/mol:	23.09
Dipole, Da:	6.43
IP(EA), eV:	-8.65(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C2=CN=CC=C2)CCC(=O)NC3=CC=CC(=C3)CSC4=CC=CC=N4

DOS

IR

Vibrations