Geometry & MOs

Info

ID:	245078
PubChem CID:	99437378
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	412.138284
ΔH_f, kcal/mol:	-43.36
Dipole, Da:	9.13
IP(EA), eV:	-9.21(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[(4-methoxy-2-nitrophenyl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CN5C=CN=C5C=C4

DOS

IR

Vibrations