Geometry & MOs

Info

ID:	157699
PubChem CID:	56436629
Reduced:	SO3N4H18C22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	375.104148
ΔH_f, kcal/mol:	3.14
Dipole, Da:	5.37
IP(EA), eV:	-8.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phenoxymethyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=NNC(=C3)C4=CC=CS4

DOS

IR

Vibrations