Geometry & MOs

Info

ID:	449029
PubChem CID:	135295375
Reduced:	OSN7C24H29 (1)
Stoich.:	ABC7D24E29 (1)
Weight, g/mol:	473.163394
ΔH_f, kcal/mol:	78.85
Dipole, Da:	8.44
IP(EA), eV:	-8.62(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-methyl-4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyridin-4-yl]piperazin-1-yl]propane-1,2-dione

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C2=CC(=NCC2)NC3=NC4=C(S3)N=C(C=C4)C5=CC=NC=C5)CCOC

DOS

IR

Vibrations