Geometry & MOs

Info

ID:	48234
PubChem CID:	10538164
Reduced:	ClSN4C9H11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	241.99424
ΔH_f, kcal/mol:	44.4
Dipole, Da:	6.91
IP(EA), eV:	-8.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-phenylpropanoate

Drug info:

PubChemData

Smile

CN=C(N)NC(=S)NC1=CC=C(C=C1)Cl

DOS

IR

Vibrations