Geometry & MOs

Info

ID:	356406
PubChem CID:	127291479
Reduced:	ClSN2O4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-159.15
Dipole, Da:	4.67
IP(EA), eV:	-8.82(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2-methylbutan-1-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)NCC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations