Geometry & MOs

Info

ID:	165717
PubChem CID:	74586381
Reduced:	FSN2O3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	375.191997
ΔH_f, kcal/mol:	-116.66
Dipole, Da:	5.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760313
Charge, e:	1

Chem-info

IUPAC name:

1-[3-(4,8-dimethyl-2-oxochromen-7-yl)oxy-2-hydroxypropyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)[O-])NC(=O)CC1=CSC(=N1)C2=CC=CC=C2F

DOS

IR

Vibrations