Geometry & MOs

Info

ID:	283725
PubChem CID:	104001849
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-121.0
Dipole, Da:	4.28
IP(EA), eV:	-8.88(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenyl-2-(2-prop-2-ynylsulfanylethylcarbamoylamino)acetic acid

Drug info:

PubChemData

Smile

CC(CSC)NC(=O)NC(CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations