Geometry & MOs

Info

ID:	277048
PubChem CID:	103826441
Reduced:	BrClOSN3H13C14 (1)
Stoich.:	ABCDE3F13G14 (1)
Weight, g/mol:	318.96108
ΔH_f, kcal/mol:	18.11
Dipole, Da:	2.32
IP(EA), eV:	-8.99(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-bromo-5-chlorobenzoyl)-methylamino]acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CS2)C(=O)C3=CC(=CC(=C3)Br)Cl

DOS

IR

Vibrations