Geometry & MOs

Info

ID:	142251
PubChem CID:	53006302
Reduced:	ClSN3O5C20H26 (1)
Stoich.:	ABC3D5E20F26 (1)
Weight, g/mol:	493.071049
ΔH_f, kcal/mol:	-207.07
Dipole, Da:	3.75
IP(EA), eV:	-9.46(-1.52)
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-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2CCCN2S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

DOS

IR

Vibrations