Geometry & MOs

Info

ID:	174562
PubChem CID:	75785397
Reduced:	SO2N3H20C23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	354.127623
ΔH_f, kcal/mol:	21.84
Dipole, Da:	3.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.913665
Charge, e:	-1

Chem-info

IUPAC name:

2-[(6-ethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)C3=CC=CC=C3)NC(CC4=CC=CC=C4)C(=O)[O-]

DOS

IR

Vibrations