Geometry & MOs

Info

ID:	186797
PubChem CID:	77486666
Reduced:	O2F3S3N4H16C21 (1)
Stoich.:	A2B3C3D4E16F21 (1)
Weight, g/mol:	437.300205
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	4.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.072484
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-2-[15-(2H-tetrazol-5-yl)pentadecanoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CCC(C1=CN=C(S1)SC2=CC3C(=[N+](C(=O)N4C3=CN=C4)C5=CSC=C5)C=C2)(C(F)(F)F)O

DOS

IR

Vibrations