Geometry & MOs

Info

ID:	196716
PubChem CID:	78868944
Reduced:	SN2O5C21H28 (1)
Stoich.:	AB2C5D21E28 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	-177.67
Dipole, Da:	5.66
IP(EA), eV:	-9.31(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC(C3=CC=CO3)O

DOS

IR

Vibrations