Geometry & MOs

Info

ID:	194335
PubChem CID:	78517817
Reduced:	OSN5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	313.97899
ΔH_f, kcal/mol:	47.95
Dipole, Da:	4.6
IP(EA), eV:	-9.11(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxooxolan-3-yl) 3-bromo-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC(C)C3=CC=C(C=C3)CC(C)C

DOS

IR

Vibrations