Geometry & MOs

Info

ID:	142877
PubChem CID:	53106537
Reduced:	ClSN4O5H19C21 (1)
Stoich.:	ABC4D5E19F21 (1)
Weight, g/mol:	452.092119
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	4.18
IP(EA), eV:	-9.4(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-7-piperidin-1-ylsulfonyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)CN3C(=O)COC4=CC(=C(C=C43)Cl)S(=O)(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations