Geometry & MOs

Info

ID:	172054
PubChem CID:	75460071
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	553.21139
ΔH_f, kcal/mol:	-85.85
Dipole, Da:	2.17
IP(EA), eV:	-9.08(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N(CC)CC)C

DOS

IR

Vibrations