Geometry & MOs

Info

ID:	213882
PubChem CID:	81065513
Reduced:	N2S2O3C14H22 (1)
Stoich.:	A2B2C3D14E22 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-131.62
Dipole, Da:	3.61
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(4-bromophenyl)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCSCC1=CSC(=N1)C

DOS

IR

Vibrations