Geometry & MOs

Info

ID:	321483
PubChem CID:	126666130
Reduced:	FO3N5H16C20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	326.133868
ΔH_f, kcal/mol:	-28.58
Dipole, Da:	4.2
IP(EA), eV:	-9.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[2-[5-(2-ethoxy-2-oxoethyl)tetrazol-1-yl]acetyl]amino]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC(=C(C=C3)F)NC(=O)C)CC4=CC=NC=C4

DOS

IR

Vibrations