Geometry & MOs

Info

ID:	348478
PubChem CID:	127273589
Reduced:	O2N5C15H23 (1)
Stoich.:	A2B5C15D23 (1)
Weight, g/mol:	373.103103
ΔH_f, kcal/mol:	-64.11
Dipole, Da:	3.3
IP(EA), eV:	-9.12(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCC(=O)N2CCCN3C2=CC=N3

DOS

IR

Vibrations