Geometry & MOs

Info

ID:	157827
PubChem CID:	56437486
Reduced:	FSN4O4C19H19 (1)
Stoich.:	ABC4D4E19F19 (1)
Weight, g/mol:	375.165743
ΔH_f, kcal/mol:	-110.16
Dipole, Da:	3.06
IP(EA), eV:	-9.21(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]butanoate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations