Geometry & MOs

Info

ID:	258845
PubChem CID:	103157225
Reduced:	ClNOF3C15H19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	204.111007
ΔH_f, kcal/mol:	-219.5
Dipole, Da:	5.72
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-2-aminopropanoyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=CC(=C(C=C2)Cl)C(F)(F)F)O

DOS

IR

Vibrations