Geometry & MOs

Info

ID:	362467
PubChem CID:	127307913
Reduced:	SN2O4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	383.144967
ΔH_f, kcal/mol:	-187.2
Dipole, Da:	1.71
IP(EA), eV:	-8.81(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCOCC2CCCO2)C(=O)N3CCSCC3

DOS

IR

Vibrations