Geometry & MOs

Info

ID:	415598
PubChem CID:	135088596
Reduced:	FN3O4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	2.89
IP(EA), eV:	-9.0(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-methylsulfanyl-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylbutan-1-one

Drug info:

PubChemData

Smile

CN1CCCC(C1)NC2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations