Geometry & MOs

Info

ID:	136782
PubChem CID:	52099686
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	379.122872
ΔH_f, kcal/mol:	-16.21
Dipole, Da:	2.9
IP(EA), eV:	-8.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=C2C=C(SC2=N1)C)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations