Geometry & MOs

Info

ID:	345834
PubChem CID:	127270134
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	397.160617
ΔH_f, kcal/mol:	-148.12
Dipole, Da:	2.5
IP(EA), eV:	-8.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]propanamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations