Geometry & MOs

Info

ID:

309782

PubChem CID:

126558540

Reduced:

FSO2N7C31H32 (1)

Stoich.:

ABC2D7E31F32 (1)

Weight, g/mol:

565.260151

ΔHf, kcal/mol:

55.16

Dipole, Da:

2.41

IP(EA), eV:

 -8.07(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[4-[(Z)-[4-(3-fluoro-5-hydroxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-(propylamino)methyl]-5-methylpyridin-2-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C(C(=N4)N=C)/C(=C\C)/C5=CC(=CC(=C5)CNS(=O)(=O)C)F

DOS

IR

Vibrations