Geometry & MOs

Info

ID:	261443
PubChem CID:	103234269
Reduced:	ClNSO2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	336.9136
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	2.58
IP(EA), eV:	-8.8(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-(2-bromoanilino)propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NCC2=CC=C(S2)C(=O)O)Cl

DOS

IR

Vibrations