Geometry & MOs

Info

ID:	336160
PubChem CID:	127255167
Reduced:	O3N5H27C29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	301.120861
ΔH_f, kcal/mol:	-25.84
Dipole, Da:	3.66
IP(EA), eV:	-8.84(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-(1,1-dioxothiolan-3-yl)-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NC2=CC=CC=C2N1C)NC(=O)CN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations