Geometry & MOs

Info

ID:	64590
PubChem CID:	29203114
Reduced:	BrNO5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	449.128608
ΔH_f, kcal/mol:	-155.27
Dipole, Da:	3.82
IP(EA), eV:	-9.31(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Br)C(=O)O[C@H](C)C(=O)N(C)C2=CC=CC=C2)OC

DOS

IR

Vibrations