Geometry & MOs

Info

ID:	190710
PubChem CID:	78046134
Reduced:	FO2N7H16C17 (1)
Stoich.:	AB2C7D16E17 (1)
Weight, g/mol:	549.243478
ΔH_f, kcal/mol:	21.88
Dipole, Da:	5.95
IP(EA), eV:	-9.49(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-[2-[(1-aminooxy-3-hydroxy-1-oxobutan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-benzylcarbamic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC#N)NC2=NC(=NC=C2F)N=C3C=CC=NC3=O

DOS

IR

Vibrations