Geometry & MOs

Info

ID:	120951
PubChem CID:	50751695
Reduced:	SN4O4C24H26 (1)
Stoich.:	AB4C4D24E26 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	4.69
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N3CCC4=CC=CC=C43)S(=O)(=O)N5CCCCC5

DOS

IR

Vibrations