Geometry & MOs

Info

ID:	30791
PubChem CID:	841905
Reduced:	ClOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-15.89
Dipole, Da:	5.13
IP(EA), eV:	-8.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-amino-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=S)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations