Geometry & MOs

Info

ID:	336117
PubChem CID:	127255124
Reduced:	ON7C21H29 (1)
Stoich.:	AB7C21D29 (1)
Weight, g/mol:	392.16306
ΔH_f, kcal/mol:	47.94
Dipole, Da:	5.93
IP(EA), eV:	-9.01(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=CC=CC=C3N2C(C)C)N4C=NN=N4

DOS

IR

Vibrations