Geometry & MOs

Info

ID:	142624
PubChem CID:	53068281
Reduced:	S2N3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	465.076134
ΔH_f, kcal/mol:	-13.98
Dipole, Da:	3.57
IP(EA), eV:	-9.49(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(S2)C3=NN=C(O3)C4CCC4

DOS

IR

Vibrations