Geometry & MOs

Info

ID:	299583
PubChem CID:	117688039
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	468.179104
ΔH_f, kcal/mol:	4.78
Dipole, Da:	3.36
IP(EA), eV:	-8.29(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-(3-azidopropyl)-4-[[2-(3-methylbutyl)-4-nitrophenyl]sulfonylamino]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1/C=C/C=C/C=C/C=C\OC=N/C=C\N=C(/C=C/OC2=CCNC=C21)C(=O)O

DOS

IR

Vibrations