Geometry & MOs

Info

ID:	158527
PubChem CID:	56464134
Reduced:	OSN5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	470.181019
ΔH_f, kcal/mol:	85.53
Dipole, Da:	5.75
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3)N(C)C4CC4

DOS

IR

Vibrations