Geometry & MOs

Info

ID:	195295
PubChem CID:	78670399
Reduced:	ClON3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	350.184172
ΔH_f, kcal/mol:	19.82
Dipole, Da:	4.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755521
Charge, e:	0

Chem-info

IUPAC name:

[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3Cl

DOS

IR

Vibrations