Geometry & MOs

Info

ID:	145997
PubChem CID:	53622071
Reduced:	SN4O5C13H16 (1)
Stoich.:	AB4C5D13E16 (1)
Weight, g/mol:	347.177982
ΔH_f, kcal/mol:	-68.68
Dipole, Da:	9.35
IP(EA), eV:	-9.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclohexylamino)propyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1NCCOC2=CC=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations