Geometry & MOs

Info

ID:	335896
PubChem CID:	127254758
Reduced:	ON8C16H20 (1)
Stoich.:	AB8C16D20 (1)
Weight, g/mol:	329.105879
ΔH_f, kcal/mol:	98.52
Dipole, Da:	8.12
IP(EA), eV:	-9.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)CN2C=NC=N2)N3C=NN=N3

DOS

IR

Vibrations