Geometry & MOs

Info

ID:	258808
PubChem CID:	103157092
Reduced:	BrN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-151.09
Dipole, Da:	7.53
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-amino-2-methylbenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC(=CC(=C1)Br)N

DOS

IR

Vibrations