Geometry & MOs

Info

ID:	261897
PubChem CID:	103257679
Reduced:	NSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-75.24
Dipole, Da:	5.78
IP(EA), eV:	-9.0(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1S)-1-cycloheptylethyl]amino]-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1OC)NCC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations