Geometry & MOs

Info

ID:	227822
PubChem CID:	87562583
Reduced:	N2O4F6H16C21 (1)
Stoich.:	A2B4C6D16E21 (1)
Weight, g/mol:	404.234493
ΔH_f, kcal/mol:	-333.2
Dipole, Da:	6.4
IP(EA), eV:	-10.19(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-tert-butylsulfanyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate

Drug info:

PubChemData

Smile

C1CC1CC(C2=CC(=C(C(=C2)OCC(F)(F)F)C(F)(F)F)C3=CC4=NON=C4C=C3)C(=O)O

DOS

IR

Vibrations