Geometry & MOs

Info

ID:	233900
PubChem CID:	92192317
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	332.155849
ΔH_f, kcal/mol:	-83.82
Dipole, Da:	5.6
IP(EA), eV:	-9.01(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[4-(diethylamino)phenyl]methylamino]-3-thiophen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN[C@@H](CC(=O)O)C3=CC=CO3

DOS

IR

Vibrations