Geometry & MOs

Info

ID:	171811
PubChem CID:	75428819
Reduced:	OSN2F3C15H21 (1)
Stoich.:	ABC2D3E15F21 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-190.74
Dipole, Da:	2.65
IP(EA), eV:	-8.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(tert-butylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(CSC)N(C)CCC(=O)NC1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations