Geometry & MOs

Info

ID:	363395
PubChem CID:	127310932
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	22.81
Dipole, Da:	2.73
IP(EA), eV:	-8.5(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2H-indazol-3-yl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)N3C=NC=N3)N4CCSCC4

DOS

IR

Vibrations