Geometry & MOs

Info

ID:	132642
PubChem CID:	51391140
Reduced:	SF2N6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	420.06195
ΔH_f, kcal/mol:	50.44
Dipole, Da:	7.86
IP(EA), eV:	-8.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C(=NNC2=S)C3=CNN4C3=N[C@@H](C[C@H]4C(F)F)C5=CC=CC=C5

DOS

IR

Vibrations