Geometry & MOs

Info

ID:

433631

PubChem CID:

135173771

Reduced:

ON9C39H43 (1)

Stoich.:

AB9C39D43 (1)

Weight, g/mol:

637.239058

ΔHf, kcal/mol:

99.34

Dipole, Da:

3.35

IP(EA), eV:

 -8.47(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]-2-methylphenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]-2-(dimethylamino)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=NC3=C2N=CC(=C3)CNCC(C)(C)O)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations