Geometry & MOs

Info

ID:	54078
PubChem CID:	14720008
Reduced:	F2N3O5C24H35 (1)
Stoich.:	A2B3C5D24E35 (1)
Weight, g/mol:	419.178726
ΔH_f, kcal/mol:	-348.15
Dipole, Da:	4.6
IP(EA), eV:	-9.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(4S)-4-amino-2,2-difluoro-6-methyl-3-oxoheptyl]-2-[(2-phenylacetyl)amino]propanamide;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)(F)F)NC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations