Geometry & MOs

Info

ID:	348484
PubChem CID:	127273595
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	324.125612
ΔH_f, kcal/mol:	-84.77
Dipole, Da:	6.62
IP(EA), eV:	-9.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC(=O)N2CCCN3C2=CC=N3)C

DOS

IR

Vibrations