Geometry & MOs

Info

ID:	54093
PubChem CID:	14720087
Reduced:	F2N3O5C24H37 (1)
Stoich.:	A2B3C5D24E37 (1)
Weight, g/mol:	485.270128
ΔH_f, kcal/mol:	-374.5
Dipole, Da:	3.23
IP(EA), eV:	-9.74(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4S)-2,2-difluoro-3-hydroxy-6-methyl-1-[[(2R)-2-[(2-phenylacetyl)amino]propanoyl]amino]heptan-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(C(CNC(=O)C(C)NC(=O)CC1=CC=CC=C1)(F)F)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations