Geometry & MOs

Info

ID:	68972
PubChem CID:	46514395
Reduced:	SN3O3H23C25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-33.99
Dipole, Da:	6.45
IP(EA), eV:	-8.63(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-1,3-dimethyl-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)pyrazolo[3,4-b]pyridine-4-carbohydrazide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2)C(=O)NNC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53

DOS

IR

Vibrations