Geometry & MOs

Info

ID:	244989
PubChem CID:	99431950
Reduced:	SN3O4H23C25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	482.08412
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	3.79
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(1S,2R)-2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCC(=O)N5

DOS

IR

Vibrations