Geometry & MOs

Info

ID:	363393
PubChem CID:	127310930
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	309.162332
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	1.16
IP(EA), eV:	-8.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)CN2CC3=CC=CC=C3C2=O)N4CCSCC4

DOS

IR

Vibrations