Geometry & MOs

Info

ID:	137908
PubChem CID:	52282342
Reduced:	OSN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	371.141596
ΔH_f, kcal/mol:	8.32
Dipole, Da:	2.62
IP(EA), eV:	-8.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]-1,3-thiazole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=NC=C1)NC(=O)C2=CC=C(C=C2)SC

DOS

IR

Vibrations