Geometry & MOs

Info

ID:	363394
PubChem CID:	127310931
Reduced:	OSN5C14H23 (1)
Stoich.:	ABC5D14E23 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	2.58
Dipole, Da:	4.64
IP(EA), eV:	-8.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C2=NNN=C2)N3CCSCC3

DOS

IR

Vibrations