Geometry & MOs

Info

ID:	218414
PubChem CID:	85089407
Reduced:	BrClN2O2C22H24 (1)
Stoich.:	ABC2D2E22F24 (1)
Weight, g/mol:	463.06305
ΔH_f, kcal/mol:	-38.21
Dipole, Da:	4.4
IP(EA), eV:	-9.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-benzamido-2-(bromomethyl)-4-hydroxy-6-methoxyoxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC#N)OC(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Br

DOS

IR

Vibrations