Geometry & MOs

Info

ID:	336269
PubChem CID:	127255276
Reduced:	O4N5C23H23 (1)
Stoich.:	A4B5C23D23 (1)
Weight, g/mol:	280.11063
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	2.74
IP(EA), eV:	-9.06(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCCC3=NC(=NO3)C4=CN=CC=C4)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations