Geometry & MOs

Info

ID:	79727
PubChem CID:	49830166
Reduced:	N3O3S3C17H21 (1)
Stoich.:	A3B3C3D17E21 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-83.37
Dipole, Da:	4.03
IP(EA), eV:	-8.57(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 9-oxofluorene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CSC3=NN=CS3

DOS

IR

Vibrations