Geometry & MOs

Info

ID:	335850
PubChem CID:	127254712
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	392.16306
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	3.05
IP(EA), eV:	-8.09(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCNC3=CC=CC4=CC=CC=C43)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations