Geometry & MOs

Info

ID:	158506
PubChem CID:	56464106
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	415.167811
ΔH_f, kcal/mol:	-42.75
Dipole, Da:	4.41
IP(EA), eV:	-8.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)NC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C

DOS

IR

Vibrations