Geometry & MOs

Info

ID:	42309
PubChem CID:	8149420
Reduced:	OS2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	305.065654
ΔH_f, kcal/mol:	30.21
Dipole, Da:	8.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.877892
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-(ethylamino)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[NH2+][C@@H](C)C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1

DOS

IR

Vibrations