Geometry & MOs

Info

ID:	44101
PubChem CID:	10500694
Reduced:	BrNO6C15H22 (1)
Stoich.:	ABC6D15E22 (1)
Weight, g/mol:	391.04192
ΔH_f, kcal/mol:	-219.17
Dipole, Da:	1.7
IP(EA), eV:	-9.56(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CN(C(=O)C[C@@H]([C@H]([C@H](COCC1=CC=C(C=C1)Br)O)O)O)OC

DOS

IR

Vibrations