Geometry & MOs

Info

ID:	335978
PubChem CID:	127254985
Reduced:	OSN5H17C21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	269.148789
ΔH_f, kcal/mol:	87.1
Dipole, Da:	10.6
IP(EA), eV:	-8.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(2S,3S)-3-methyl-2-(tetrazol-1-yl)pentanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CN1C=NC2=C1C=CC(=C2)N3CC(=O)C(=C3N)C4=NC(=CS4)C5=CC=CC=C5

DOS

IR

Vibrations