Geometry & MOs

Info

ID:	170204
PubChem CID:	75206731
Reduced:	SCl2N2O4C21H22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	430.06405
ΔH_f, kcal/mol:	-88.38
Dipole, Da:	8.15
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations