Geometry & MOs

Info

ID:

448193

PubChem CID:

135289145

Reduced:

FSO3N7H28C35 (1)

Stoich.:

ABC3D7E28F35 (1)

Weight, g/mol:

554.223038

ΔHf, kcal/mol:

41.09

Dipole, Da:

6.03

IP(EA), eV:

 -8.35(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)NN4)/C=C32

DOS

IR

Vibrations