Geometry & MOs

Info

ID:	80098
PubChem CID:	49832944
Reduced:	N4O5C28H30 (1)
Stoich.:	A4B5C28D30 (1)
Weight, g/mol:	382.131583
ΔH_f, kcal/mol:	-134.19
Dipole, Da:	2.56
IP(EA), eV:	-8.41(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2-acetamido-5-(2,3-difluorophenyl)-6-(2,2,2-trifluoroethylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N2CCOCC2)C)C3=C4C(=CC=C3)[C@@H](CO4)NC5=CC6=C(C=C5)O[C@H](C6)CC(=O)O

DOS

IR

Vibrations