Geometry & MOs

Info

ID:	277779
PubChem CID:	103830942
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	228.104482
ΔH_f, kcal/mol:	-140.17
Dipole, Da:	4.88
IP(EA), eV:	-9.14(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OCCC)N

DOS

IR

Vibrations