Geometry & MOs

Info

ID:	62909
PubChem CID:	26737590
Reduced:	SN3O8C22H27 (1)
Stoich.:	AB3C8D22E27 (1)
Weight, g/mol:	514.146892
ΔH_f, kcal/mol:	-186.26
Dipole, Da:	5.15
IP(EA), eV:	-9.22(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-chloro-5-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])OC)OC

DOS

IR

Vibrations