Geometry & MOs

Info

ID:	414297
PubChem CID:	135087253
Reduced:	FSN2O5C15H21 (1)
Stoich.:	ABC2D5E15F21 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-227.24
Dipole, Da:	7.32
IP(EA), eV:	-8.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-9-(isoquinoline-3-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=C(C(=CC=C2)F)OC

DOS

IR

Vibrations