Geometry & MOs

Info

ID:	137909
PubChem CID:	52282853
Reduced:	SO2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	372.149421
ΔH_f, kcal/mol:	26.78
Dipole, Da:	6.0
IP(EA), eV:	-9.24(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-ethoxycarbonyl-1,3-thiazol-4-yl)methyl-methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=CS1)CN(C)[C@@H](C)C2=CC=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations