Geometry & MOs

Info

ID:	214485
PubChem CID:	85083113
Reduced:	ClPN3O5C27H27 (1)
Stoich.:	ABC3D5E27F27 (1)
Weight, g/mol:	539.147758
ΔH_f, kcal/mol:	-161.91
Dipole, Da:	2.2
IP(EA), eV:	-9.03(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropoxycarbonyl 3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2N=CC4=CC(=CC=C4)OC)OCC

DOS

IR

Vibrations