Geometry & MOs

Info

ID:	61985
PubChem CID:	26716575
Reduced:	ClSN4O5H15C16 (1)
Stoich.:	ABC4D5E15F16 (1)
Weight, g/mol:	469.200156
ΔH_f, kcal/mol:	-122.2
Dipole, Da:	4.83
IP(EA), eV:	-8.68(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC3=C(C=C2)NC(=O)N3

DOS

IR

Vibrations