Geometry & MOs

Info

ID:	38629
PubChem CID:	8137290
Reduced:	SO3N5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	362.13789
ΔH_f, kcal/mol:	-32.88
Dipole, Da:	5.85
IP(EA), eV:	-8.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NCC(=O)NC2CC2)C3=CC=CO3

DOS

IR

Vibrations