Geometry & MOs

Info

ID:	145856
PubChem CID:	53602902
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	83.35
Dipole, Da:	2.54
IP(EA), eV:	-9.13(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-(1H-pyrazol-4-ylamino)butyl]-2-propan-2-ylsulfanylbenzamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCCN2CC3=NC(=NO3)CC4=CC=CC=C4

DOS

IR

Vibrations