Geometry & MOs

Info

ID:	310690
PubChem CID:	126584312
Reduced:	FNSO2H16C17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	333.132471
ΔH_f, kcal/mol:	-63.95
Dipole, Da:	5.59
IP(EA), eV:	-8.38(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-4-morpholin-4-yl-7-nitro-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CS(=O)C1=C(C=C(C=C1)C2=CNC3=C2C=CC(=C3)F)CCO

DOS

IR

Vibrations