Geometry & MOs

Info

ID:	184827
PubChem CID:	77215128
Reduced:	ClSN4O5C26H31 (1)
Stoich.:	ABC4D5E26F31 (1)
Weight, g/mol:	194.105528
ΔH_f, kcal/mol:	-176.04
Dipole, Da:	5.27
IP(EA), eV:	-8.77(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino 2-(methylamino)-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC(=O)NC2=CC3=C(C=C2)C=C(S3)C(=O)NC4CN5CCC4CC5.Cl

DOS

IR

Vibrations