Geometry & MOs

Info

ID:	140807
PubChem CID:	52764366
Reduced:	N2O5C24H36 (1)
Stoich.:	A2B5C24D36 (1)
Weight, g/mol:	405.05757
ΔH_f, kcal/mol:	-233.1
Dipole, Da:	3.23
IP(EA), eV:	-8.95(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[[2-(4-bromophenoxy)acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)N(C[C@@H]2CCCO2)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations