Geometry & MOs

Info

ID:	345864
PubChem CID:	127270164
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-181.65
Dipole, Da:	2.44
IP(EA), eV:	-8.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C=CN(C1=O)CC(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations