Geometry & MOs

Info

ID:	240965
PubChem CID:	93618454
Reduced:	ClNSO2F3C13H13 (1)
Stoich.:	ABCD2E3F13G13 (1)
Weight, g/mol:	218.126657
ΔH_f, kcal/mol:	-237.35
Dipole, Da:	4.15
IP(EA), eV:	-8.61(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-[[(2R)-1-methoxypropan-2-yl]carbamoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1CSC2=C([C@@H]1NC(=O)COCC(F)(F)F)C=C(C=C2)Cl

DOS

IR

Vibrations