Geometry & MOs

Info

ID:	122855
PubChem CID:	50824518
Reduced:	SN4O5C21H22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	428.115441
ΔH_f, kcal/mol:	-95.07
Dipole, Da:	4.88
IP(EA), eV:	-8.53(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations