Geometry & MOs

Info

ID:	125941
PubChem CID:	50944811
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	-122.12
Dipole, Da:	2.7
IP(EA), eV:	-8.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2OC)N(C)S(=O)(=O)C

DOS

IR

Vibrations