Geometry & MOs

Info

ID:

433666

PubChem CID:

135173806

Reduced:

SO2N6C34H34 (1)

Stoich.:

AB2C6D34E34 (1)

Weight, g/mol:

548.272216

ΔHf, kcal/mol:

45.45

Dipole, Da:

6.21

IP(EA), eV:

 -8.13(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-methylphenyl]-2-methylphenyl]-3-[[ethyl(propyl)amino]methyl]-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(S2)CNC3)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CC[C@@](C7)(C)C(=O)O)C

DOS

IR

Vibrations