Geometry & MOs

Info

ID:	42321
PubChem CID:	8149433
Reduced:	ClOSN3H20C22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	23.87
Dipole, Da:	3.93
IP(EA), eV:	-8.79(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-4-oxo-2-[(1R)-1-(4-propan-2-ylanilino)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

DOS

IR

Vibrations