Geometry & MOs

Info

ID:	205311
PubChem CID:	80085082
Reduced:	BrClNOSH11C15 (1)
Stoich.:	ABCDEF11G15 (1)
Weight, g/mol:	376.01893
ΔH_f, kcal/mol:	1.07
Dipole, Da:	3.93
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-bromo-4-chlorophenyl)carbamoylamino]-4-methylhexanoic acid

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2S1)C(=O)NC3=CC(=C(C=C3)Cl)Br

DOS

IR

Vibrations