Geometry & MOs

Info

ID:	157377
PubChem CID:	56423138
Reduced:	FSN2O4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-179.98
Dipole, Da:	5.94
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenoxy)ethyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

COC(=O)CSCCC(=O)NCC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)F

DOS

IR

Vibrations