Geometry & MOs

Info

ID:	449025
PubChem CID:	135295328
Reduced:	SN7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	333.100794
ΔH_f, kcal/mol:	122.11
Dipole, Da:	6.37
IP(EA), eV:	-8.57(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1,3-benzothiazol-6-yl]oxy]ethanol

Drug info:

PubChemData

Smile

CC1CN(CCN1C)C2=CC(=NC=C2)NC3=NC4=C(S3)N=C(C=C4)C5=CC=NC=C5

DOS

IR

Vibrations