Geometry & MOs

Info

ID:	362010
PubChem CID:	127305363
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-93.71
Dipole, Da:	7.23
IP(EA), eV:	-8.98(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)N3CCOC(C3)CN4C=CC=N4

DOS

IR

Vibrations