Geometry & MOs

Info

ID:	213553
PubChem CID:	81064108
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-122.49
Dipole, Da:	4.58
IP(EA), eV:	-9.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=CC=C1SC

DOS

IR

Vibrations