Geometry & MOs

Info

ID:	244556
PubChem CID:	99364965
Reduced:	FSO2N4H13C18 (1)
Stoich.:	ABC2D4E13F18 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	2.86
IP(EA), eV:	-8.79(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetyl-N-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)C2=CC(=C(C=C2)F)NC(=O)CN3C=NC4=C(C3=O)C=CS4

DOS

IR

Vibrations