Geometry & MOs

Info

ID:	421859
PubChem CID:	135116736
Reduced:	N2S2O4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	430.210387
ΔH_f, kcal/mol:	-91.0
Dipole, Da:	6.84
IP(EA), eV:	-9.2(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)S(=O)(=O)C3=CC=C(S3)C4=C(ON=C4C)C)OCC1

DOS

IR

Vibrations