Geometry & MOs

Info

ID:	449659
PubChem CID:	135300391
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	407.177982
ΔH_f, kcal/mol:	45.86
Dipole, Da:	6.05
IP(EA), eV:	-8.5(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCCCS(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)OC)C4=CN=C(N4C)C

DOS

IR

Vibrations