Geometry & MOs

Info

ID:	298480
PubChem CID:	117650135
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	462.197714
ΔH_f, kcal/mol:	-67.99
Dipole, Da:	4.91
IP(EA), eV:	-9.29(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylsulfinylphenyl)-(1'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)OC1=C(N=C(C=C1)C(=O)C)Cl

DOS

IR

Vibrations