Geometry & MOs

Info

ID:	129875
PubChem CID:	51074118
Reduced:	ClOSN3C16H16 (1)
Stoich.:	ABCD3E16F16 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-2.47
Dipole, Da:	3.9
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1CSC2=C(C1NC(=O)NCC3=CC=CC=N3)C=C(C=C2)Cl

DOS

IR

Vibrations