Geometry & MOs

Info

ID:	223672
PubChem CID:	85335400
Reduced:	SN3O5C25H27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	483.215806
ΔH_f, kcal/mol:	-81.55
Dipole, Da:	4.13
IP(EA), eV:	-8.6(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-[3-(9-methoxy-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene)propyl]spiro[3H-1,3-benzoxazine-4,5'-piperidine]-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCOC2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC(=C4)C=CC(=O)NO

DOS

IR

Vibrations