Geometry & MOs

Info

ID:	142249
PubChem CID:	53006045
Reduced:	ClSO2N3C23H24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	489.11252
ΔH_f, kcal/mol:	-35.7
Dipole, Da:	5.2
IP(EA), eV:	-8.7(-0.44)
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-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N2C(=O)C3=CC4=C(N3CC2(C)C(=O)NC5CCCC5)SC=C4

DOS

IR

Vibrations