Geometry & MOs

Info

ID:	283741
PubChem CID:	104003104
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-158.27
Dipole, Da:	3.41
IP(EA), eV:	-8.87(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1-ethylcyclopropyl)methylcarbamoylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCC1(CCCN1C(=O)NC2CCCSC2)C(=O)O

DOS

IR

Vibrations