Geometry & MOs

Info

ID:	69017
PubChem CID:	46515641
Reduced:	SO2N5C9H13 (1)
Stoich.:	AB2C5D9E13 (1)
Weight, g/mol:	443.141596
ΔH_f, kcal/mol:	-42.63
Dipole, Da:	6.19
IP(EA), eV:	-8.63(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)SC(C)C(=O)N2CCNC2=O

DOS

IR

Vibrations