Geometry & MOs

Info

ID:	237685
PubChem CID:	92720718
Reduced:	SO3N5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	385.126026
ΔH_f, kcal/mol:	-50.13
Dipole, Da:	4.04
IP(EA), eV:	-8.67(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N2C(=N1)SC(=N2)N3CCC[C@@H]3C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations