Geometry & MOs

Info

ID:	236733
PubChem CID:	92714603
Reduced:	N2S2O4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	318.044106
ΔH_f, kcal/mol:	-122.22
Dipole, Da:	5.21
IP(EA), eV:	-9.01(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CS1)NS(=O)(=O)C2=CC3=C(C=C2C)NC(=O)CO3

DOS

IR

Vibrations