Geometry & MOs

Info

ID:	157740
PubChem CID:	56436886
Reduced:	SF2O2N3H11C15 (1)
Stoich.:	AB2C2D3E11F15 (1)
Weight, g/mol:	370.170414
ΔH_f, kcal/mol:	-87.57
Dipole, Da:	6.43
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[(3,5-difluorobenzoyl)amino]acetyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=NNC(=C2)C3=CC=CS3)OC(F)F

DOS

IR

Vibrations