Geometry & MOs

Info

ID:	244307
PubChem CID:	99319775
Reduced:	FON5C24H24 (1)
Stoich.:	ABC5D24E24 (1)
Weight, g/mol:	444.128983
ΔH_f, kcal/mol:	20.69
Dipole, Da:	2.5
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N[C@@H](C)C3=C(N(N=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations