Geometry & MOs

Info

ID:	282451
PubChem CID:	103927832
Reduced:	N2O5C14H28 (1)
Stoich.:	A2B5C14D28 (1)
Weight, g/mol:	298.150427
ΔH_f, kcal/mol:	-247.75
Dipole, Da:	9.73
IP(EA), eV:	-9.62(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NC(=O)N(CCCOC)CCOC

DOS

IR

Vibrations