Geometry & MOs

Info

ID:	305087
PubChem CID:	124766508
Reduced:	NO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	325.146013
ΔH_f, kcal/mol:	-1.45
Dipole, Da:	2.17
IP(EA), eV:	-8.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-3-[(3S,5R)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C(=O)[C@@H]4[C@H]5C=C[C@H]([C@H]4C3=O)O5

DOS

IR

Vibrations