Geometry & MOs

Info

ID:	335836
PubChem CID:	127254698
Reduced:	BrFNO3H23C34 (1)
Stoich.:	ABCD3E23F34 (1)
Weight, g/mol:	343.121529
ΔH_f, kcal/mol:	36.15
Dipole, Da:	3.93
IP(EA), eV:	-8.98(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=C(C=C4)C=C(C=C5)F)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations