Geometry & MOs

Info

ID:	446819
PubChem CID:	135277983
Reduced:	SO2F3N4H15C19 (1)
Stoich.:	AB2C3D4E15F19 (1)
Weight, g/mol:	471.367222
ΔH_f, kcal/mol:	-133.37
Dipole, Da:	10.87
IP(EA), eV:	-9.48(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(C=CC2=C1N=CC=C2)C3=NC4=C(N3C)N=CC(=C4)C(F)(F)F

DOS

IR

Vibrations