Geometry & MOs

Info

ID:	425274
PubChem CID:	135125747
Reduced:	F2S2N3O5C24H29 (1)
Stoich.:	A2B2C3D5E24F29 (1)
Weight, g/mol:	473.231456
ΔH_f, kcal/mol:	-259.69
Dipole, Da:	8.89
IP(EA), eV:	-8.88(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-isoquinolin-3-yl-N-(oxan-2-yloxy)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CC1(COC(OC1)C2=CC(=C(C(=C2)F)F)[C@](C)(CS(=O)(=O)NC)NC(=S)NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations