Geometry & MOs

Info

ID:	60799
PubChem CID:	26702299
Reduced:	F2S2N3O3C23H23 (1)
Stoich.:	A2B2C3D3E23F23 (1)
Weight, g/mol:	473.195071
ΔH_f, kcal/mol:	-147.0
Dipole, Da:	8.04
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations