Geometry & MOs

Info

ID:	357557
PubChem CID:	127294220
Reduced:	S2N4O5C12H18 (1)
Stoich.:	A2B4C5D12E18 (1)
Weight, g/mol:	353.153955
ΔH_f, kcal/mol:	-202.24
Dipole, Da:	5.61
IP(EA), eV:	-8.72(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-fluorophenyl)oxan-4-yl]-5-methyl-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

C1CSCCN1S(=O)(=O)CCNC(=O)CN2C=CC(=O)NC2=O

DOS

IR

Vibrations