Geometry & MOs

Info

ID:	84256
PubChem CID:	49865137
Reduced:	SCl3F3N7H17C25 (1)
Stoich.:	AB3C3D7E17F25 (1)
Weight, g/mol:	364.127051
ΔH_f, kcal/mol:	17.02
Dipole, Da:	4.8
IP(EA), eV:	-9.81(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1CC(C1)(C2=NN=C(S2)C3=NN(C(=C3CN4C=NC=N4)C5=CC=C(C=C5)Cl)C6=C(C=C(C=C6)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations