Geometry & MOs

Info

ID:	182012
PubChem CID:	76827997
Reduced:	SN2O6C25H30 (1)
Stoich.:	AB2C6D25E30 (1)
Weight, g/mol:	498.155764
ΔH_f, kcal/mol:	-206.15
Dipole, Da:	6.89
IP(EA), eV:	-9.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2,3-dihydroxypropoxy)-3-methoxyphenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)ON=C2CC3(CCN(CC3)C(=O)OC(C)(C)C)OC4=CC=CC=C24

DOS

IR

Vibrations