Geometry & MOs

Info

ID:	197973
PubChem CID:	79024697
Reduced:	ClFON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-86.06
Dipole, Da:	2.43
IP(EA), eV:	-9.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2S)-2-aminobutanoyl]amino]-3-methylbenzoate

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N(C)CC1=C(C=CC=C1Cl)F)N

DOS

IR

Vibrations