Geometry & MOs

Info

ID:	49994
PubChem CID:	11538633
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	402.151433
ΔH_f, kcal/mol:	-136.9
Dipole, Da:	4.91
IP(EA), eV:	-8.44(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[2-[5-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]thiophen-2-yl]ethynyl]pyridin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC(=C(C=C3)C)CC(=O)O

DOS

IR

Vibrations