Geometry & MOs

Info

ID:	192533
PubChem CID:	78282601
Reduced:	N2O3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	364.163436
ΔH_f, kcal/mol:	-143.2
Dipole, Da:	5.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.888891
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-methoxy-4-prop-1-enylphenoxy)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+]2CCC(CC2)C)C

DOS

IR

Vibrations