Geometry & MOs

Info

ID:	153100
PubChem CID:	56312233
Reduced:	N2S2O3C17H22 (1)
Stoich.:	A2B2C3D17E22 (1)
Weight, g/mol:	451.09687
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	5.99
IP(EA), eV:	-7.81(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)NCC2CCN(C2)C3=CC=CC=C3OC

DOS

IR

Vibrations