Geometry & MOs

Info

ID:	444560
PubChem CID:	135262854
Reduced:	SO2F3N5C25H26 (1)
Stoich.:	AB2C3D5E25F26 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-126.8
Dipole, Da:	6.02
IP(EA), eV:	-8.37(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-amino-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]acetate

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)N4CCC5=C(C4)C(=NO5)C(F)(F)F

DOS

IR

Vibrations