Geometry & MOs

Info

ID:	154973
PubChem CID:	56314532
Reduced:	OSN3C28H31 (1)
Stoich.:	ABC3D28E31 (1)
Weight, g/mol:	410.157661
ΔH_f, kcal/mol:	20.28
Dipole, Da:	6.61
IP(EA), eV:	-8.39(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C3=CC=C(C=C3)N4CCC5=CC=CC=C5C4

DOS

IR

Vibrations