Geometry & MOs

Info

ID:	174563
PubChem CID:	75785398
Reduced:	SO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	441.138522
ΔH_f, kcal/mol:	-0.63
Dipole, Da:	5.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.329043
Charge, e:	-1

Chem-info

IUPAC name:

2-[(6-ethyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations