Geometry & MOs

Info

ID:	279179
PubChem CID:	103841879
Reduced:	BrClNOSC12H13 (1)
Stoich.:	ABCDEF12G13 (1)
Weight, g/mol:	375.02368
ΔH_f, kcal/mol:	-32.36
Dipole, Da:	2.54
IP(EA), eV:	-8.85(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-bromo-4-chlorobenzoyl)-(2-methylpropyl)amino]acetate

Drug info:

PubChemData

Smile

C1CSCCC1NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations