Geometry & MOs

Info

ID:	261902
PubChem CID:	103258133
Reduced:	NSO2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-47.08
Dipole, Da:	3.65
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](C)NCC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations