Geometry & MOs

Info

ID:	213590
PubChem CID:	81064318
Reduced:	BrNSO3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-114.16
Dipole, Da:	4.57
IP(EA), eV:	-9.5(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-acetamidobenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=CS1)Br

DOS

IR

Vibrations