Geometry & MOs

Info

ID:	353380
PubChem CID:	127284756
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-147.82
Dipole, Da:	4.15
IP(EA), eV:	-8.62(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(oxolan-2-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)-N-(thiolan-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=N2)C(=O)N(CC3CCCO3)C4CCSC4)C(=O)NC1=O

DOS

IR

Vibrations