Geometry & MOs

Info

ID:	305493
PubChem CID:	124956853
Reduced:	N5C17H19 (1)
Stoich.:	A5B17C19 (1)
Weight, g/mol:	431.199111
ΔH_f, kcal/mol:	80.87
Dipole, Da:	0.92
IP(EA), eV:	-9.11(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(4-propan-2-ylthiadiazole-5-carbonyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CNC1)CC2=CC(=NC=N2)N3C=NC4=CC=CC=C43

DOS

IR

Vibrations