Geometry & MOs

Info

ID:	182293
PubChem CID:	76871933
Reduced:	NPO8C32H65 (1)
Stoich.:	ABC8D32E65 (1)
Weight, g/mol:	341.02627
ΔH_f, kcal/mol:	-507.21
Dipole, Da:	3.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752659
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylamino]propanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC

DOS

IR

Vibrations