Geometry & MOs

Info

ID:	73356
PubChem CID:	48417512
Reduced:	SO2N5H13C17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	377.109959
ΔH_f, kcal/mol:	52.74
Dipole, Da:	6.2
IP(EA), eV:	-9.33(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations