Geometry & MOs

Info

ID:	56521
PubChem CID:	17436065
Reduced:	S3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	433.097538
ΔH_f, kcal/mol:	110.04
Dipole, Da:	4.39
IP(EA), eV:	-8.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-(cyclopropylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=C2C(=NC(=N3)C)SC4=NN=C(S4)NC5CC5

DOS

IR

Vibrations