Geometry & MOs

Info

ID:	242892
PubChem CID:	99213649
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	426.13036
ΔH_f, kcal/mol:	-159.31
Dipole, Da:	6.18
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-methoxyquinolin-5-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)NC2=C(C=C(C=C2)C)OC[C@H]3CCCO3

DOS

IR

Vibrations