Geometry & MOs

Info

ID:	177555
PubChem CID:	76199441
Reduced:	SN2O6C31H40 (1)
Stoich.:	AB2C6D31E40 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-177.12
Dipole, Da:	11.02
IP(EA), eV:	-9.08(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-hydroxypropan-2-yl)-3-methyl-2-[[methyl(propyl)amino]methyl]-8-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Drug info:

PubChemData

Smile

CC1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC3CCCC3)OC1CN(C)CC4=CC(=CC=C4)C(=O)O)C(C)CO

DOS

IR

Vibrations