Geometry & MOs

Info

ID:	69078
PubChem CID:	46517821
Reduced:	ClO3N4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-79.19
Dipole, Da:	0.76
IP(EA), eV:	-9.72(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trimethyl-N-[2-(2-nitroanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=N2)C(=O)NCC3=CC=CC=C3Cl)C(=O)N(C1=O)C

DOS

IR

Vibrations