Geometry & MOs

Info

ID:	155155
PubChem CID:	56320853
Reduced:	SO3N5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	410.175419
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	5.69
IP(EA), eV:	-8.63(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[3-[(3-hydroxybenzoyl)amino]propyl]-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NCCCNC(=O)C4=CC(=CC=C4)O)C

DOS

IR

Vibrations