Geometry & MOs

Info

ID:	157079
PubChem CID:	56422100
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	407.10929
ΔH_f, kcal/mol:	-83.37
Dipole, Da:	2.8
IP(EA), eV:	-9.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(trifluoromethoxy)phenyl]methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C(=O)COC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations