Geometry & MOs

Info

ID:	449023
PubChem CID:	135295315
Reduced:	N5C20H23 (1)
Stoich.:	A5B20C23 (1)
Weight, g/mol:	451.179044
ΔH_f, kcal/mol:	117.47
Dipole, Da:	2.37
IP(EA), eV:	-8.59(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-[4-[2-[[6-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-benzothiazol-2-yl]amino]pyridin-4-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C#C)NC(=NC2=NC=CC(=C2)CN3CCCC3)C

DOS

IR

Vibrations