Geometry & MOs

Info

ID:	225423
PubChem CID:	85756859
Reduced:	O2C13H26 (1)
Stoich.:	A2B13C26 (1)
Weight, g/mol:	286.109962
ΔH_f, kcal/mol:	-98.63
Dipole, Da:	1.99
IP(EA), eV:	-9.42(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[5-(3-hydroxypropyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(COC)(COC)C(C)C=C

DOS

IR

Vibrations