Geometry & MOs

Info

ID:	122854
PubChem CID:	50824514
Reduced:	ClSN4O5H17C19 (1)
Stoich.:	ABC4D5E17F19 (1)
Weight, g/mol:	442.131091
ΔH_f, kcal/mol:	-85.91
Dipole, Da:	3.54
IP(EA), eV:	-9.34(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-6-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations