Geometry & MOs

Info

ID:	50034
PubChem CID:	11538917
Reduced:	NO3C27H29 (1)
Stoich.:	AB3C27D29 (1)
Weight, g/mol:	416.130697
ΔH_f, kcal/mol:	-49.03
Dipole, Da:	3.94
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]([C@H](COC(=O)/C=C/C1=CC=CC=C1)O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations