Geometry & MOs

Info

ID:	420511
PubChem CID:	135113542
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-10.0
Dipole, Da:	1.23
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=CC=CC=C2C(=O)N3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations