Geometry & MOs

Info

ID:	213636
PubChem CID:	81064462
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	321.064649
ΔH_f, kcal/mol:	-141.26
Dipole, Da:	5.16
IP(EA), eV:	-10.04(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(trifluoromethylsulfanyl)benzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCC=C

DOS

IR

Vibrations