Geometry & MOs

Info

ID:	155013
PubChem CID:	56314579
Reduced:	N4O4C27H28 (1)
Stoich.:	A4B4C27D28 (1)
Weight, g/mol:	419.141596
ΔH_f, kcal/mol:	-106.97
Dipole, Da:	5.95
IP(EA), eV:	-8.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-2-(1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)CN4C(=O)CCC4=O)C5=CC=CC=C51

DOS

IR

Vibrations