Geometry & MOs

Info

ID:	261500
PubChem CID:	103236595
Reduced:	FNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	349.01749
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	6.31
IP(EA), eV:	-8.78(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-hydroxy-4-(3-iodoanilino)butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NCC2=CC=C(S2)C(=O)O

DOS

IR

Vibrations