Geometry & MOs

Info

ID:	321005
PubChem CID:	126664396
Reduced:	SF4N4O5C32H36 (1)
Stoich.:	AB4C4D5E32F36 (1)
Weight, g/mol:	321.14887
ΔH_f, kcal/mol:	-305.36
Dipole, Da:	3.71
IP(EA), eV:	-9.28(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-azido-3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CCS(N2C[C@@H](C1)NC[C@@H]2CCC3=C(C=CC=C3F)NC(=O)[C@H]([C@@H](C4=CC=C(C=C4)F)C5=CC(=CC(=C5)F)F)NC(=O)O)(O)O

DOS

IR

Vibrations