Geometry & MOs

Info

ID:	205346
PubChem CID:	80091056
Reduced:	BrClN2O3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	362.00328
ΔH_f, kcal/mol:	-127.43
Dipole, Da:	4.82
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromo-4-chlorophenyl)carbamoylamino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)O)C(=O)NC1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations