Geometry & MOs

Info

ID:	38627
PubChem CID:	8137283
Reduced:	SN4O5C18H20 (1)
Stoich.:	AB4C5D18E20 (1)
Weight, g/mol:	362.13789
ΔH_f, kcal/mol:	-107.94
Dipole, Da:	4.46
IP(EA), eV:	-9.9(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(C2CC2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations