Geometry & MOs

Info

ID:	38626
PubChem CID:	8137282
Reduced:	FO3N5H14C19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	404.115441
ΔH_f, kcal/mol:	-13.09
Dipole, Da:	2.88
IP(EA), eV:	-9.87(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C(O1)C2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations