Geometry & MOs

Info

ID:	155114
PubChem CID:	56320705
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	456.0797
ΔH_f, kcal/mol:	-168.83
Dipole, Da:	2.81
IP(EA), eV:	-9.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[3-[(3-hydroxybenzoyl)amino]propyl]-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations