Geometry & MOs

Info

ID:	44896
PubChem CID:	10506406
Reduced:	O5C33H54 (1)
Stoich.:	A5B33C54 (1)
Weight, g/mol:	530.044517
ΔH_f, kcal/mol:	-273.0
Dipole, Da:	2.77
IP(EA), eV:	-9.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-[[2-[(2-chloro-6-methoxycarbonylphenyl)sulfamoyl]-5-ethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]sulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)/C=C/1\CC(OC1)(CO)COCC2=CC=CC=C2

DOS

IR

Vibrations