Geometry & MOs

Info

ID:	279014
PubChem CID:	103840483
Reduced:	FNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	315.128214
ΔH_f, kcal/mol:	-238.22
Dipole, Da:	4.02
IP(EA), eV:	-9.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[4-(difluoromethyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations