Geometry & MOs

Info

ID:	317358
PubChem CID:	126636808
Reduced:	ISO8C21H29 (1)
Stoich.:	ABC8D21E29 (1)
Weight, g/mol:	227.113073
ΔH_f, kcal/mol:	-319.82
Dipole, Da:	7.53
IP(EA), eV:	-9.01(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[3-(2-azidoethyl)-1,2-dihydrotriazol-5-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@H](O1)CO)C/C=C/C2=C(C(=CC(=C2)OC)OCOC)C(=O)OCCSI)C

DOS

IR

Vibrations