Geometry & MOs

Info

ID:	54077
PubChem CID:	14720006
Reduced:	ClF2N3O5C26H40 (1)
Stoich.:	AB2C3D5E26F40 (1)
Weight, g/mol:	483.254478
ΔH_f, kcal/mol:	-394.09
Dipole, Da:	6.15
IP(EA), eV:	-9.77(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)C(CNC(=O)C(C(C)C)C(=O)NCC1=CC=CC=C1)(F)F)NC(=O)OC(C)(C)C.Cl

DOS

IR

Vibrations