Geometry & MOs

Info

ID:	309892
PubChem CID:	126565359
Reduced:	ClSO2N7C29H32 (1)
Stoich.:	ABC2D7E29F32 (1)
Weight, g/mol:	392.149793
ΔH_f, kcal/mol:	23.73
Dipole, Da:	5.27
IP(EA), eV:	-8.5(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(4-methylimidazol-1-yl)indol-2-ylidene]-5-pyrimidin-5-yl-1,2-dihydropyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

CCC1=C(C2=C(N1)N=C(N=C2N3CC[C@@H](C3)N)SC4=CC5=C(C=C4)C(=CC(=N5)C(=O)O)C6CC(C6)C7(CC7)N)Cl

DOS

IR

Vibrations