Geometry & MOs

Info

ID:	442405
PubChem CID:	135251887
Reduced:	ClFO2S2N4H18C22 (1)
Stoich.:	ABC2D2E4F18G22 (1)
Weight, g/mol:	523.212058
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	9.41
IP(EA), eV:	-8.88(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[[5-[(3Z)-3-(4-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]amino]ethanol

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)[C@H]4CCSS4

DOS

IR

Vibrations