Geometry & MOs

Info

ID:	54079
PubChem CID:	14720010
Reduced:	ClF2N3O3C19H28 (1)
Stoich.:	AB2C3D3E19F28 (1)
Weight, g/mol:	383.202048
ΔH_f, kcal/mol:	-255.08
Dipole, Da:	11.75
IP(EA), eV:	-9.67(-0.65)
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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC(C(=O)[C@H](CC(C)C)N)(F)F)NC(=O)CC1=CC=CC=C1.Cl

DOS

IR

Vibrations